2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=CC(=N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=CC(=N3)C

InChI

InChI=1S/C22H28N4O3/c1-3-29-19-9-7-17(8-10-19)15-26-12-11-23-22(28)20(26)13-21(27)24-14-18-6-4-5-16(2)25-18/h4-10,20H,3,11-15H2,1-2H3,(H,23,28)(H,24,27)/p+1/t20-/m1/s1