N-(2-methoxy-5-nitro-phenyl)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]propionamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H28N4O4/c1-33-24-10-9-21(29(31)32)17-23(24)26-25(30)11-12-27-13-15-28(16-14-27)18-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,17H,11-16,18H2,1H3,(H,26,30)/p+1