4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-nitro-aniline

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-nitro-aniline Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-nitro-aniline CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-[4-(4-methyl-1-piperazin-1-iumyl)butyl]-2-nitroaniline IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-nitroaniline Traditional Name: [4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-[4-(4-methylpiperazin-1-ium-1-yl)butyl]amine Formula: C22H38N5O4S+ MolecularWeight: 468.63322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC[NH+]3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC[NH+]3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H37N5O4S/c1-18-14-19(2)17-26(16-18)32(30,31)20-6-7-21(22(15-20)27(28)29)23-8-4-5-9-25-12-10-24(3)11-13-25/h6-7,15,18-19,23H,4-5,8-14,16-17H2,1-3H3/p+1/t18-,19-/m0/s1