4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-benzyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-21-9-11-22(12-10-21)17-8-7-16(13-18(17)23(25)26)19(24)20-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24)/p+1