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

Systemtic Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propionamide Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4/c1-14(19(25)20-15-3-2-4-17(13-15)23(26)27)21-9-11-22(12-10-21)16-5-7-18(24)8-6-16/h2-8,13-14,24H,9-12H2,1H3,(H,20,25)/p+1/t14-/m1/s1