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

Systemtic Name: 1-methyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H25N4O+ MolecularWeight: 361.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H24N4O/c1-16-18-9-5-6-10-19(18)20(15-23)21(24-16)25-11-13-26(14-12-25)22(27)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-14H2,1H3/p+1