3-(4-ethanoylpiperazin-1-yl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(4-acetylpiperazin-1-yl)-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(4-acetyl-1-piperazinyl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(4-acetylpiperazin-1-yl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(4-acetylpiperazino)-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-14(2)12-19-17-7-5-4-6-16(17)18(13-21)20(22-19)24-10-8-23(9-11-24)15(3)25/h14H,4-12H2,1-3H3/p+1