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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N

InChI

InChI=1S/C23H28N4O2/c1-2-3-9-20-18-8-5-4-7-17(18)19(16-24)22(25-20)26-11-13-27(14-12-26)23(28)21-10-6-15-29-21/h6,10,15H,2-5,7-9,11-14H2,1H3/p+1