(phenylmethyl) 2-[azanyl-(2-oxidanylcyclohexyl)carbamoyl]-3-heptyl-1-oxidanidyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[azanyl-(2-oxidanylcyclohexyl)carbamoyl]-3-heptyl-1-oxidanidyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 2-[amino-(2-hydroxycyclohexyl)carbamoyl]-3-heptyl-1-oxido-pyrrolidin-1-ium-1-carboxylate CAS Name: 2-[[amino-(2-hydroxycyclohexyl)amino]-oxomethyl]-3-heptyl-1-oxido-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[amino-(2-hydroxycyclohexyl)carbamoyl]-3-heptyl-1-oxidopyrrolidin-1-ium-1-carboxylate Traditional Name: 2-[amino-(2-hydroxycyclohexyl)carbamoyl]-3-heptyl-1-oxido-pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C26H41N3O5 MolecularWeight: 475.62084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC[N+](C1C(=O)N(C2CCCCC2O)N)(C(=O)OCC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCCCCC1CC[N+](C1C(=O)N(C2CCCCC2O)N)(C(=O)OCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C26H41N3O5/c1-2-3-4-5-9-14-21-17-18-29(33,26(32)34-19-20-12-7-6-8-13-20)24(21)25(31)28(27)22-15-10-11-16-23(22)30/h6-8,12-13,21-24,30H,2-5,9-11,14-19,27H2,1H3