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

Systemtic Name: 2-[(4-butoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(4-butoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(4-butoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(4-butoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(4-butoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H26NO+ MolecularWeight: 296.42654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H25NO/c1-2-3-14-22-20-10-8-17(9-11-20)15-21-13-12-18-6-4-5-7-19(18)16-21/h4-11H,2-3,12-16H2,1H3/p+1