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

Systemtic Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-isopropyl-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-propan-2-ylacetamide IUPAC Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide Traditional Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-N-isopropyl-2-keto-acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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