O1-[3-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]propyl] O3-octadecan-4-yl 2-methoxy-4-(2-methoxyphenyl)carbonyl-piperazine-1,3-dicarboxylate

Systemtic Name: O1-[3-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]propyl] O3-octadecan-4-yl 2-methoxy-4-(2-methoxyphenyl)carbonyl-piperazine-1,3-dicarboxylate Openeye Name: O1-[3-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]propyl] O3-(1-propylpentadecyl) 2-methoxy-4-(2-methoxybenzoyl)piperazine-1,3-dicarboxylate CAS Name: 2-methoxy-4-[(2-methoxyphenyl)-oxomethyl]piperazine-1,3-dicarboxylic acid O1-[3-[[(1-ethyl-2-pyridin-1-iumyl)methylamino]-oxomethoxy]propyl] ester O3-octadecan-4-yl ester IUPAC Name: 1-O-[3-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]propyl] 3-O-octadecan-4-yl 2-methoxy-4-(2-methoxybenzoyl)piperazine-1,3-dicarboxylate Traditional Name: 2-methoxy-4-o-anisoyl-piperazine-1,3-dicarboxylic acid O1-[3-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]propyl] ester O3-(1-propylpentadecyl) ester Formula: C45H71N4O9+ MolecularWeight: 812.06664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC)OC(=O)C1C(N(CCN1C(=O)C2=CC=CC=C2OC)C(=O)OCCCOC(=O)NCC3=CC=CC=[N+]3CC)OC

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC)OC(=O)C1C(N(CCN1C(=O)C2=CC=CC=C2OC)C(=O)OCCCOC(=O)NCC3=CC=CC=[N+]3CC)OC

InChI

InChI=1S/C45H70N4O9/c1-6-9-10-11-12-13-14-15-16-17-18-19-27-37(25-7-2)58-43(51)40-42(55-5)49(32-31-48(40)41(50)38-28-20-21-29-39(38)54-4)45(53)57-34-24-33-56-44(52)46-35-36-26-22-23-30-47(36)8-3/h20-23,26,28-30,37,40,42H,6-19,24-25,27,31-35H2,1-5H3/p+1