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

Systemtic Name: dimethyl-[1-[[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]methyl]cycloheptyl]ammonium Formula: C21H37N5O4S+2 MolecularWeight: 455.61458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3(CCCCCC3)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3(CCCCCC3)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H35N5O4S/c1-23(2)21(10-6-4-5-7-11-21)17-22-19-9-8-18(16-20(19)26(27)28)31(29,30)25-14-12-24(3)13-15-25/h8-9,16,22H,4-7,10-15,17H2,1-3H3/p+2