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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=NC=CC2=CC=CC=C21)[N+]3(CCNCC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(C(C1=NC=CC2=CC=CC=C21)[N+]3(CCNCC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H32N3O/c1-22(33)28(27-26-15-9-8-10-23(26)16-17-31-27)32(20-18-30-19-21-32)29(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-17,22,28-30,33H,18-21H2,1H3/q+1