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

Systemtic Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-2-oxo-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxoacetamide Traditional Name: N-benzyl-2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-2-keto-acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H27N5O2/c1-17-19-9-5-6-10-20(19)21(15-25)22(27-17)28-11-13-29(14-12-28)24(31)23(30)26-16-18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-14,16H2,1H3,(H,26,30)/p+1