N-[2-(3-methoxyphenyl)ethyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(3-methoxyphenyl)ethyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(3-methoxyphenyl)ethyl]-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(3-methoxyphenyl)ethyl]-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C21H26N4O3/c1-28-18-7-4-5-16(13-18)8-10-23-20(26)14-19-21(27)24-11-12-25(19)15-17-6-2-3-9-22-17/h2-7,9,13,19H,8,10-12,14-15H2,1H3,(H,23,26)(H,24,27)/p+1/t19-/m1/s1