6-hexoxy-2-(phenylmethyl)isoquinolin-2-ium

Systemtic Name: 6-hexoxy-2-(phenylmethyl)isoquinolin-2-ium Openeye Name: 2-benzyl-6-hexoxy-isoquinolin-2-ium CAS Name: 6-hexoxy-2-(phenylmethyl)isoquinolin-2-ium IUPAC Name: 2-benzyl-6-hexoxyisoquinolin-2-ium Traditional Name: 2-benzyl-6-hexoxy-isoquinolin-2-ium Formula: C22H26NO+ MolecularWeight: 320.44794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)C=[N+](C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)C=[N+](C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26NO/c1-2-3-4-8-15-24-22-12-11-21-18-23(14-13-20(21)16-22)17-19-9-6-5-7-10-19/h5-7,9-14,16,18H,2-4,8,15,17H2,1H3/q+1