N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide

Systemtic Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=CC(=NN3)C4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=CC(=NN3)C4CC4

InChI

InChI=1S/C23H31N5O3/c1-3-31-19-8-4-16(5-9-19)14-28-11-10-24-23(30)21(28)13-22(29)27(2)15-18-12-20(26-25-18)17-6-7-17/h4-5,8-9,12,17,21H,3,6-7,10-11,13-15H2,1-2H3,(H,24,30)(H,25,26)/p+1/t21-/m1/s1