(1S)-7-tert-butyl-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-7-tert-butyl-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-7-tert-butyl-1-(2-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-7-tert-butyl-1-(2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-7-tert-butyl-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-7-tert-butyl-1-(2-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H23N2+ MolecularWeight: 267.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(CC[NH2+]C2C3=CC=CC=N3)C=C1

Isomeric SMILES

CC(C)(C)C1=CC2=C(CC[NH2+][C@@H]2C3=CC=CC=N3)C=C1

InChI

InChI=1S/C18H22N2/c1-18(2,3)14-8-7-13-9-11-20-17(15(13)12-14)16-6-4-5-10-19-16/h4-8,10,12,17,20H,9,11H2,1-3H3/p+1/t17-/m0/s1