2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C23H29N3O3/c1-18(27)20(16-19-8-4-3-5-9-19)24-23(28)17-25-12-14-26(15-13-25)21-10-6-7-11-22(21)29-2/h3-11,20H,12-17H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1