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

Systemtic Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-oxidanylidene-ethanamide Openeye Name: 2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(2-furylmethyl)-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-N-(2-furanylmethyl)-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-N-(2-furfuryl)-2-keto-acetamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CO4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CO4)C#N

InChI

InChI=1S/C24H29N5O3/c1-16(2)21-19-8-4-3-7-18(19)20(14-25)22(27-21)28-9-11-29(12-10-28)24(31)23(30)26-15-17-6-5-13-32-17/h5-6,13,16H,3-4,7-12,15H2,1-2H3,(H,26,30)/p+1