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

Systemtic Name: 1-phenyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C27H27N4O+ MolecularWeight: 423.52948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c28-19-24-22-13-7-8-14-23(22)25(20-9-3-1-4-10-20)29-26(24)30-15-17-31(18-16-30)27(32)21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-18H2/p+1