2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxidanylidene-ethanamide

Systemtic Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxidanylidene-ethanamide Openeye Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-N-(2-hydroxyethyl)-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-N-(2-hydroxyethyl)-2-keto-acetamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NCCO)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NCCO)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c25-16-20-18-8-4-5-9-19(18)21(17-6-2-1-3-7-17)27-22(20)28-11-13-29(14-12-28)24(32)23(31)26-10-15-30/h1-3,6-7,30H,4-5,8-15H2,(H,26,31)/p+1