2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(isoquinolin-5-ylmethyl)-N-methyl-ethanamide

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(isoquinolin-5-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(5-isoquinolylmethyl)-N-methyl-acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(5-isoquinolinylmethyl)-N-methylacetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(5-isoquinolylmethyl)-N-methyl-acetamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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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=CC4=C3C=CN=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H30N4O3/c1-3-33-22-9-7-19(8-10-22)17-30-14-13-28-26(32)24(30)15-25(31)29(2)18-21-6-4-5-20-16-27-12-11-23(20)21/h4-12,16,24H,3,13-15,17-18H2,1-2H3,(H,28,32)/p+1/t24-/m1/s1