(1S)-6,7-diethoxy-1-(2-methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-(2-methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(2-methoxy-1-naphthyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(2-methoxy-1-naphthalenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(2-methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(2-methoxy-1-naphthyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=C(C=CC4=CC=CC=C43)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=C(C=CC4=CC=CC=C43)OC)OCC

InChI

InChI=1S/C24H27NO3/c1-4-27-21-14-17-12-13-25-24(19(17)15-22(21)28-5-2)23-18-9-7-6-8-16(18)10-11-20(23)26-3/h6-11,14-15,24-25H,4-5,12-13H2,1-3H3/p+1/t24-/m0/s1