N-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-p-anisyl-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-22-9-11-23(12-10-22)18-8-5-16(13-19(18)24(26)27)20(25)21-14-15-3-6-17(28-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)/p+1