N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(1-ethyl-4-piperidin-1-iumylidene)amino]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-4-methyl-3-nitro-benzenesulfonamide Formula: C14H21N4O4S+ MolecularWeight: 341.40594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-3-17-8-6-12(7-9-17)15-16-23(21,22)13-5-4-11(2)14(10-13)18(19)20/h4-5,10,16H,3,6-9H2,1-2H3/p+1