2-[4-(4-cyano-1-methyl-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-methyl-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-methyl-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-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-N-(2-furanylmethyl)-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-methyl-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-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-N-(2-furfuryl)-2-keto-acetamide Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CO4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CO4)C#N

InChI

InChI=1S/C22H25N5O3/c1-15-17-6-2-3-7-18(17)19(13-23)20(25-15)26-8-10-27(11-9-26)22(29)21(28)24-14-16-5-4-12-30-16/h4-5,12H,2-3,6-11,14H2,1H3,(H,24,28)/p+1