2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-3,4-dihydroisoquinolin-2-ium Openeye Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-3,4-dihydroisoquinolin-2-ium CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-3,4-dihydroisoquinolin-2-ium Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-3,4-dihydroisoquinolin-2-ium Formula: C19H28N+ MolecularWeight: 270.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[N+]2=CC3=CC=CC=C3CC2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[N+]2=CC3=CC=CC=C3CC2)C(C)C

InChI

InChI=1S/C19H28N/c1-14(2)18-9-8-15(3)12-19(18)20-11-10-16-6-4-5-7-17(16)13-20/h4-7,13-15,18-19H,8-12H2,1-3H3/q+1/t15-,18+,19-/m0/s1