3-nitro-4-[2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]hydrazinyl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]hydrazinyl]benzenesulfonamide Openeye Name: 4-[2-(1-benzylpiperidin-1-ium-4-ylidene)hydrazino]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-[2-[1-(phenylmethyl)-4-piperidin-1-iumylidene]hydrazinyl]benzenesulfonamide IUPAC Name: 4-[2-(1-benzylpiperidin-1-ium-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[N'-(1-benzylpiperidin-1-ium-4-ylidene)hydrazino]-3-nitro-benzenesulfonamide Formula: C18H22N5O4S+ MolecularWeight: 404.46338

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O4S/c19-28(26,27)16-6-7-17(18(12-16)23(24)25)21-20-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2,(H2,19,26,27)/p+1