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

Systemtic Name: 1-butyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-butyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-butyl-3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-butyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-butyl-3-(4-isobutyrylpiperazino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O/c1-4-5-10-20-18-9-7-6-8-17(18)19(15-23)21(24-20)25-11-13-26(14-12-25)22(27)16(2)3/h16H,4-14H2,1-3H3/p+1