1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium Openeye Name: 1-methyl-4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-ium CAS Name: 1-methyl-4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium Traditional Name: 1-methyl-4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazin-1-ium Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4S/c1-14-5-7-20(8-6-14)26(24,25)15-3-4-16(17(13-15)21(22)23)19-11-9-18(2)10-12-19/h3-4,13-14H,5-12H2,1-2H3/p+1