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

Systemtic Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxo-N-phenethyl-acetamide CAS Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-2-oxo-N-phenethylacetamide IUPAC Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxo-N-phenethylacetamide Traditional Name: 2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-2-keto-N-phenethyl-acetamide Formula: C27H34N5O2+ MolecularWeight: 460.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H33N5O2/c1-19(2)24-22-11-7-6-10-21(22)23(18-28)25(30-24)31-14-16-32(17-15-31)27(34)26(33)29-13-12-20-8-4-3-5-9-20/h3-5,8-9,19H,6-7,10-17H2,1-2H3,(H,29,33)/p+1