N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(cyclohexen-1-yl)ethyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O4S/c1-21-11-13-22(14-12-21)28(26,27)17-7-8-18(19(15-17)23(24)25)20-10-9-16-5-3-2-4-6-16/h5,7-8,15,20H,2-4,6,9-14H2,1H3/p+1