dimethyl-[(1R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]-1-phenyl-ethyl]ammonium Formula: C21H31N5O4S+2 MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@@H](C3=CC=CC=C3)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4S/c1-23(2)21(17-7-5-4-6-8-17)16-22-19-10-9-18(15-20(19)26(27)28)31(29,30)25-13-11-24(3)12-14-25/h4-10,15,21-22H,11-14,16H2,1-3H3/p+2/t21-/m0/s1