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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(m-tolylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(3-methylphenyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(3-methylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-methylbenzyl)acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=CC(=C3)C

InChI

InChI=1S/C23H29N3O3/c1-3-29-20-9-7-18(8-10-20)16-26-12-11-24-23(28)21(26)14-22(27)25-15-19-6-4-5-17(2)13-19/h4-10,13,21H,3,11-12,14-16H2,1-2H3,(H,24,28)(H,25,27)/p+1/t21-/m1/s1