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

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-16-12-19(25(27)28)20(29-2)13-18(16)22-21(26)15-24-10-8-23(9-11-24)14-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,26)/p+1