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

Systemtic Name: N,N-diethyl-3-nitro-4-[2-(1-propylpiperidin-1-ium-4-ylidene)hydrazinyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[2-(1-propylpiperidin-1-ium-4-ylidene)hydrazino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[2-(1-propyl-4-piperidin-1-iumylidene)hydrazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[2-(1-propylpiperidin-1-ium-4-ylidene)hydrazinyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[N'-(1-propylpiperidin-1-ium-4-ylidene)hydrazino]benzenesulfonamide Formula: C18H30N5O4S+ MolecularWeight: 412.5269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O4S/c1-4-11-21-12-9-15(10-13-21)19-20-17-8-7-16(14-18(17)23(24)25)28(26,27)22(5-2)6-3/h7-8,14,20H,4-6,9-13H2,1-3H3/p+1