2-methoxy-5-nitro-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzamide

Systemtic Name: 2-methoxy-5-nitro-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzamide Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-2-methoxy-5-nitro-benzamide CAS Name: 2-methoxy-5-nitro-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzamide IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-2-methoxy-5-nitrobenzamide Traditional Name: N-(4-benzylpiperazin-4-ium-1-yl)-2-methoxy-5-nitro-benzamide Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4/c1-27-18-8-7-16(23(25)26)13-17(18)19(24)20-22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24)/p+1