(2R)-N-(2-methoxy-4-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27N4O5+ MolecularWeight: 415.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N4O5/c1-15(21(26)22-19-8-7-17(25(27)28)14-20(19)30-3)23-9-11-24(12-10-23)16-5-4-6-18(13-16)29-2/h4-8,13-15H,9-12H2,1-3H3,(H,22,26)/p+1/t15-/m1/s1