(2R)-N-aminocarbonyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-carbamoyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N-carbamoyl-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-carbamoyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-N-carbamoyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)NC(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3)C(=O)NC(=O)N

InChI

InChI=1S/C20H24N4O3/c1-27-17-9-5-8-16(14-17)23-10-12-24(13-11-23)18(19(25)22-20(21)26)15-6-3-2-4-7-15/h2-9,14,18H,10-13H2,1H3,(H3,21,22,25,26)/p+1/t18-/m1/s1