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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(oxan-4-yl)ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-tetrahydropyran-4-yl-acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(4-oxanyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(oxan-4-yl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-tetrahydropyran-4-yl-acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N(C)C3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)C3CCOCC3

InChI

InChI=1S/C21H31N3O4/c1-3-28-18-6-4-16(5-7-18)15-24-11-10-22-21(26)19(24)14-20(25)23(2)17-8-12-27-13-9-17/h4-7,17,19H,3,8-15H2,1-2H3,(H,22,26)/p+1/t19-/m1/s1