(1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: (1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: (1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: (1S)-1-(1,1-dimethyl-4-piperidin-1-iumyl)-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: (1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: (1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Formula: C18H30N2+2 MolecularWeight: 274.4442

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2C3=CC=CC=C3CC[N+]2(C)C)C

Isomeric SMILES

C[N+]1(CCC(CC1)[C@H]2C3=CC=CC=C3CC[N+]2(C)C)C

InChI

InChI=1S/C18H30N2/c1-19(2)12-9-16(10-13-19)18-17-8-6-5-7-15(17)11-14-20(18,3)4/h5-8,16,18H,9-14H2,1-4H3/q+2/t18-/m0/s1