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

Systemtic Name: 2-[4-[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: 2-[4-(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxo-acetamide CAS Name: 2-[4-[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]-1-piperazinyl]-2-oxoacetamide IUPAC Name: 2-[4-[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-2-keto-acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2/c1-13(2)11-17-15-6-4-3-5-14(15)16(12-21)19(23-17)24-7-9-25(10-8-24)20(27)18(22)26/h13H,3-11H2,1-2H3,(H2,22,26)/p+1