[1-[5-benzamido-4-(3,4-dichlorophenyl)pentyl]-1-methyl-4-phenyl-piperidin-1-ium-4-yl] propanoate

Systemtic Name: [1-[5-benzamido-4-(3,4-dichlorophenyl)pentyl]-1-methyl-4-phenyl-piperidin-1-ium-4-yl] propanoate Openeye Name: [1-[5-benzamido-4-(3,4-dichlorophenyl)pentyl]-1-methyl-4-phenyl-piperidin-1-ium-4-yl] propanoate CAS Name: propanoic acid [1-[5-benzamido-4-(3,4-dichlorophenyl)pentyl]-1-methyl-4-phenyl-4-piperidin-1-iumyl] ester IUPAC Name: [1-[5-benzamido-4-(3,4-dichlorophenyl)pentyl]-1-methyl-4-phenylpiperidin-1-ium-4-yl] propanoate Traditional Name: propionic acid [1-[5-benzamido-4-(3,4-dichlorophenyl)pentyl]-1-methyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C33H39Cl2N2O3+ MolecularWeight: 582.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[N+](CC1)(C)CCCC(CNC(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)OC1(CC[N+](CC1)(C)CCCC(CNC(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C33H38Cl2N2O3/c1-3-31(38)40-33(28-14-8-5-9-15-28)18-21-37(2,22-19-33)20-10-13-27(26-16-17-29(34)30(35)23-26)24-36-32(39)25-11-6-4-7-12-25/h4-9,11-12,14-17,23,27H,3,10,13,18-22,24H2,1-2H3/p+1