dimethyl-[2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: dimethyl-[2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: dimethyl-[2-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: dimethyl-[2-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: dimethyl-[2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]ethyl]-dimethyl-ammonium Formula: C20H32N5O5S+ MolecularWeight: 454.56358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O5S/c1-16-6-8-24(9-7-16)31(29,30)17-4-5-18(19(14-17)25(27)28)22-10-12-23(13-11-22)20(26)15-21(2)3/h4-5,14,16H,6-13,15H2,1-3H3/p+1