3-nitro-4-[2-(1-propan-2-ylpiperidin-1-ium-4-ylidene)hydrazinyl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[2-(1-propan-2-ylpiperidin-1-ium-4-ylidene)hydrazinyl]benzenesulfonamide Openeye Name: 4-[2-(1-isopropylpiperidin-1-ium-4-ylidene)hydrazino]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-[2-(1-propan-2-yl-4-piperidin-1-iumylidene)hydrazinyl]benzenesulfonamide IUPAC Name: 3-nitro-4-[2-(1-propan-2-ylpiperidin-1-ium-4-ylidene)hydrazinyl]benzenesulfonamide Traditional Name: 4-[N'-(1-isopropylpiperidin-1-ium-4-ylidene)hydrazino]-3-nitro-benzenesulfonamide Formula: C14H22N5O4S+ MolecularWeight: 356.42058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC1

Isomeric SMILES

CC(C)[NH+]1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC1

InChI

InChI=1S/C14H21N5O4S/c1-10(2)18-7-5-11(6-8-18)16-17-13-4-3-12(24(15,22)23)9-14(13)19(20)21/h3-4,9-10,17H,5-8H2,1-2H3,(H2,15,22,23)/p+1