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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(4-oxanylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)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)NCC3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3CCOCC3

InChI

InChI=1S/C21H31N3O4/c1-2-28-18-5-3-17(4-6-18)15-24-10-9-22-21(26)19(24)13-20(25)23-14-16-7-11-27-12-8-16/h3-6,16,19H,2,7-15H2,1H3,(H,22,26)(H,23,25)/p+1/t19-/m1/s1