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

Systemtic Name: 6-hexoxy-2-(phenylmethyl)isoquinolin-2-ium chloride Openeye Name: 2-benzyl-6-hexoxy-isoquinolin-2-ium chloride CAS Name: 6-hexoxy-2-(phenylmethyl)isoquinolin-2-ium chloride IUPAC Name: 2-benzyl-6-hexoxyisoquinolin-2-ium chloride Traditional Name: 2-benzyl-6-hexoxy-isoquinolin-2-ium chloride Formula: C22H26ClNO MolecularWeight: 355.90094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO.ClH/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;1H/q+1;/p-1