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

Systemtic Name: 1-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(4-isobutyrylpiperazino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O/c1-13(2)19(24)23-10-8-22(9-11-23)18-17(12-20)16-7-5-4-6-15(16)14(3)21-18/h13H,4-11H2,1-3H3/p+1