2-[4-(2,4-dimethylphenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[4-(2,4-dimethylphenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[4-(2,4-dimethylphenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[4-(2,4-dimethylphenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[4-(2,4-dimethylphenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[4-(2,4-dimethylphenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO+ MolecularWeight: 310.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC[NH+]2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC[NH+]2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H27NO/c1-17-9-10-21(18(2)15-17)23-14-6-5-12-22-13-11-19-7-3-4-8-20(19)16-22/h3-4,7-10,15H,5-6,11-14,16H2,1-2H3/p+1