(1S)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CC[NH2+]2)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC

InChI

InChI=1S/C21H27NO3/c1-14(2)15-5-7-17(8-6-15)25-13-19-18-12-21(24-4)20(23-3)11-16(18)9-10-22-19/h5-8,11-12,14,19,22H,9-10,13H2,1-4H3/p+1/t19-/m1/s1