[1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methanol

Systemtic Name: [1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methanol Openeye Name: [1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-yl]methanol CAS Name: [1-methyl-4-(1-phenyl-3-isoquinolinyl)-1-piperazin-1-iumyl]methanol IUPAC Name: [1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methanol Traditional Name: [1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-yl]methanol Formula: C21H24N3O+ MolecularWeight: 334.43476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4)CO

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4)CO

InChI

InChI=1S/C21H24N3O/c1-24(16-25)13-11-23(12-14-24)20-15-18-9-5-6-10-19(18)21(22-20)17-7-3-2-4-8-17/h2-10,15,25H,11-14,16H2,1H3/q+1