2-[(4-hexoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(4-hexoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(4-hexoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(4-hexoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(4-hexoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(4-hexoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H30NO+ MolecularWeight: 324.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H29NO/c1-2-3-4-7-16-24-22-12-10-19(11-13-22)17-23-15-14-20-8-5-6-9-21(20)18-23/h5-6,8-13H,2-4,7,14-18H2,1H3/p+1