N-(cycloheptylideneamino)-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitro-aniline

Systemtic Name: N-(cycloheptylideneamino)-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitro-aniline Openeye Name: N-(cycloheptylideneamino)-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitro-aniline CAS Name: N-(cycloheptylideneamino)-2-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-4-nitroaniline IUPAC Name: N-(cycloheptylideneamino)-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitroaniline Traditional Name: (cycloheptylideneamino)-[2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-nitro-phenyl]amine Formula: C18H28N5O4S+ MolecularWeight: 410.51102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=C3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=C3CCCCCC3

InChI

InChI=1S/C18H27N5O4S/c1-21-10-12-22(13-11-21)28(26,27)18-14-16(23(24)25)8-9-17(18)20-19-15-6-4-2-3-5-7-15/h8-9,14,20H,2-7,10-13H2,1H3/p+1