2-methylpropyl 1-acetyloxy-4-[4-[2-[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]piperidin-1-ium-1-carboxylate

Systemtic Name: 2-methylpropyl 1-acetyloxy-4-[4-[2-[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]piperidin-1-ium-1-carboxylate Openeye Name: isobutyl 1-acetoxy-4-[4-[2-[4-(2-ethoxy-2-oxo-ethoxy)phenyl]-2-oxo-ethyl]-3-oxo-piperazin-1-yl]piperidin-1-ium-1-carboxylate CAS Name: 1-acetyloxy-4-[4-[2-[4-(2-ethoxy-2-oxoethoxy)phenyl]-2-oxoethyl]-3-oxo-1-piperazinyl]-1-piperidin-1-iumcarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 1-acetyloxy-4-[4-[2-[4-(2-ethoxy-2-oxoethoxy)phenyl]-2-oxoethyl]-3-oxopiperazin-1-yl]piperidin-1-ium-1-carboxylate Traditional Name: 1-acetoxy-4-[4-[2-[4-(2-ethoxy-2-keto-ethoxy)phenyl]-2-keto-ethyl]-3-keto-piperazino]piperidin-1-ium-1-carboxylic acid isobutyl ester Formula: C28H40N3O9+ MolecularWeight: 562.6319

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C(=O)CN2CCN(CC2=O)C3CC[N+](CC3)(C(=O)OCC(C)C)OC(=O)C

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(=O)CN2CCN(CC2=O)C3CC[N+](CC3)(C(=O)OCC(C)C)OC(=O)C

InChI

InChI=1S/C28H40N3O9/c1-5-37-27(35)19-38-24-8-6-22(7-9-24)25(33)16-30-13-12-29(17-26(30)34)23-10-14-31(15-11-23,40-21(4)32)28(36)39-18-20(2)3/h6-9,20,23H,5,10-19H2,1-4H3/q+1