N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(2-methoxyphenyl)methyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-o-anisyl-amine Formula: C19H25N4O5S+ MolecularWeight: 421.4906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-21-9-11-22(12-10-21)29(26,27)16-7-8-17(18(13-16)23(24)25)20-14-15-5-3-4-6-19(15)28-2/h3-8,13,20H,9-12,14H2,1-2H3/p+1