1-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-3-isoquinolin-1-yl-propan-2-ol

Systemtic Name: 1-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-3-isoquinolin-1-yl-propan-2-ol Openeye Name: 1-(1-benzhydrylpiperazin-1-ium-1-yl)-3-(1-isoquinolyl)propan-2-ol CAS Name: 1-[1-(diphenylmethyl)-1-piperazin-1-iumyl]-3-(1-isoquinolinyl)-2-propanol IUPAC Name: 1-(1-benzhydrylpiperazin-1-ium-1-yl)-3-isoquinolin-1-ylpropan-2-ol Traditional Name: 1-(1-benzhydrylpiperazin-1-ium-1-yl)-3-(1-isoquinolyl)propan-2-ol Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC(CC2=NC=CC3=CC=CC=C32)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[N+](CCN1)(CC(CC2=NC=CC3=CC=CC=C32)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N3O/c33-26(21-28-27-14-8-7-9-23(27)15-16-31-28)22-32(19-17-30-18-20-32)29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-16,26,29-30,33H,17-22H2/q+1