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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-3-4-9-19-17-8-6-5-7-16(17)18(14-21)20(22-19)24-12-10-23(11-13-24)15(2)25/h3-13H2,1-2H3/p+1