9,10-dimethoxy-7-(phenylmethyl)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-ol

Systemtic Name: 9,10-dimethoxy-7-(phenylmethyl)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-ol Openeye Name: 7-benzyl-9,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-ol CAS Name: 9,10-dimethoxy-7-(phenylmethyl)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-ol IUPAC Name: 7-benzyl-9,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-ol Traditional Name: 7-benzyl-9,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-7-ium-3-ol Formula: C26H28NO3+ MolecularWeight: 402.50542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CC3C4=C(CC[N+]3(C2)CC5=CC=CC=C5)C=C(C=C4)O)C=C1)OC

Isomeric SMILES

COC1=C(C2=C(CC3C4=C(CC[N+]3(C2)CC5=CC=CC=C5)C=C(C=C4)O)C=C1)OC

InChI

InChI=1S/C26H27NO3/c1-29-25-11-8-19-15-24-22-10-9-21(28)14-20(22)12-13-27(24,17-23(19)26(25)30-2)16-18-6-4-3-5-7-18/h3-11,14,24H,12-13,15-17H2,1-2H3/p+1