N,N-diethyl-4-[2-(1-methylpiperidin-1-ium-4-ylidene)hydrazinyl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-(1-methylpiperidin-1-ium-4-ylidene)hydrazinyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(1-methylpiperidin-1-ium-4-ylidene)hydrazino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(1-methyl-4-piperidin-1-iumylidene)hydrazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(1-methylpiperidin-1-ium-4-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[N'-(1-methylpiperidin-1-ium-4-ylidene)hydrazino]-3-nitro-benzenesulfonamide Formula: C16H26N5O4S+ MolecularWeight: 384.47374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O4S/c1-4-20(5-2)26(24,25)14-6-7-15(16(12-14)21(22)23)18-17-13-8-10-19(3)11-9-13/h6-7,12,18H,4-5,8-11H2,1-3H3/p+1