2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-isopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-methyl-2-imidazolyl)methyl]-N-propan-2-ylacetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-isopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N(CC3=NC=CN3C)C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N(CC3=NC=CN3C)C(C)C

InChI

InChI=1S/C23H33N5O3/c1-5-31-20-9-7-6-8-18(20)15-27-13-11-25-23(30)19(27)14-22(29)28(17(2)3)16-21-24-10-12-26(21)4/h6-10,12,17,19H,5,11,13-16H2,1-4H3,(H,25,30)/p+1/t19-/m1/s1