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

Systemtic Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyridin-3-yloxyethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3-pyridyloxy)ethyl]acetamide CAS Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(3-pyridinyloxy)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]-N-[2-(3-pyridyloxy)ethyl]acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCOC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCOC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O4/c1-28-19-7-3-2-5-16(19)15-25-11-9-24-21(27)18(25)13-20(26)23-10-12-29-17-6-4-8-22-14-17/h2-8,14,18H,9-13,15H2,1H3,(H,23,26)(H,24,27)/p+1/t18-/m1/s1