phenyl 2-[4-[(phenylmethyl)carbamoyl]piperidin-1-ium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[(phenylmethyl)carbamoyl]piperidin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(benzylcarbamoyl)piperidin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperidin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(benzylcarbamoyl)piperidin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(benzylcarbamoyl)piperidin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c24-21(22-17-18-7-3-1-4-8-18)19-11-13-23(14-12-19)15-16-28(25,26)27-20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,22,24)/p+1