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

Systemtic Name: N-[(2S)-3-(4-methoxyphenyl)-1-oxidanylidene-1-piperazin-4-ium-1-yl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(4-methoxyphenyl)methyl]-2-oxo-2-piperazin-4-ium-1-yl-ethyl]acetamide CAS Name: N-[(2S)-3-(4-methoxyphenyl)-1-oxo-1-(1-piperazin-4-iumyl)propan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(4-methoxyphenyl)-1-oxo-1-piperazin-4-ium-1-ylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-keto-1-p-anisyl-2-piperazin-4-ium-1-yl-ethyl]acetamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H23N3O3/c1-12(20)18-15(16(21)19-9-7-17-8-10-19)11-13-3-5-14(22-2)6-4-13/h3-6,15,17H,7-11H2,1-2H3,(H,18,20)/p+1/t15-/m0/s1