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

Systemtic Name: 1-(furan-2-yl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-(2-furyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-(2-furyl)-3-(4-isobutyrylpiperazino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CO4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CO4

InChI

InChI=1S/C22H26N4O2/c1-15(2)22(27)26-11-9-25(10-12-26)21-18(14-23)16-6-3-4-7-17(16)20(24-21)19-8-5-13-28-19/h5,8,13,15H,3-4,6-7,9-12H2,1-2H3/p+1