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

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(4-acetylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(4-acetyl-1-piperazinyl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(4-acetylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(4-acetylpiperazino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O/c1-12-14-5-3-4-6-15(14)16(11-18)17(19-12)21-9-7-20(8-10-21)13(2)22/h3-10H2,1-2H3/p+1