(1S)-1-[(1R)-cyclohex-3-en-1-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-[(1R)-1-cyclohex-3-enyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H28NO2+ MolecularWeight: 302.43112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3CCC=CC3)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)[C@@H]3CCC=CC3)OCC

InChI

InChI=1S/C19H27NO2/c1-3-21-17-12-15-10-11-20-19(14-8-6-5-7-9-14)16(15)13-18(17)22-4-2/h5-6,12-14,19-20H,3-4,7-11H2,1-2H3/p+1/t14-,19-/m0/s1