N-(2-methoxyphenyl)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methoxyphenyl)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-methoxyphenyl)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-methoxyphenyl)-3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-methoxyphenyl)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-methoxyphenyl)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-28-19-9-5-2-6-16(19)21-20(25)10-11-22-12-14-23(15-13-22)17-7-3-4-8-18(17)24(26)27/h2-9H,10-15H2,1H3,(H,21,25)/p+1