N-[4-[4-[(1-methylpyridin-1-ium-4-yl)methylamino]piperidin-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-[(1-methylpyridin-1-ium-4-yl)methylamino]piperidin-1-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-[(1-methylpyridin-1-ium-4-yl)methylamino]-1-piperidyl]phenyl]methanesulfonamide CAS Name: N-[4-[4-[(1-methyl-4-pyridin-1-iumyl)methylamino]-1-piperidinyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-[(1-methylpyridin-1-ium-4-yl)methylamino]piperidin-1-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-[(1-methylpyridin-1-ium-4-yl)methylamino]piperidino]phenyl]methanesulfonamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CNC2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

C[N+]1=CC=C(C=C1)CNC2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C19H27N4O2S/c1-22-11-7-16(8-12-22)15-20-17-9-13-23(14-10-17)19-5-3-18(4-6-19)21-26(2,24)25/h3-8,11-12,17,20-21H,9-10,13-15H2,1-2H3/q+1