1-[(3,4-dimethoxyphenyl)methyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-4-veratryl-piperazin-4-ium Formula: C23H31N4O6S+ MolecularWeight: 491.58044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H30N4O6S/c1-32-22-8-5-18(15-23(22)33-2)17-24-11-13-25(14-12-24)20-7-6-19(16-21(20)27(28)29)34(30,31)26-9-3-4-10-26/h5-8,15-16H,3-4,9-14,17H2,1-2H3/p+1