3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-furoyl)piperazino]-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N

Isomeric SMILES

CC(C)CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N

InChI

InChI=1S/C23H28N4O2/c1-16(2)14-20-18-7-4-3-6-17(18)19(15-24)22(25-20)26-9-11-27(12-10-26)23(28)21-8-5-13-29-21/h5,8,13,16H,3-4,6-7,9-12,14H2,1-2H3/p+1