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

Systemtic Name: (1R)-7-tert-butyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-7-tert-butyl-1-(4-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-7-tert-butyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-7-tert-butyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-7-tert-butyl-1-(4-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=NC=C3)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2/c1-18(2,3)15-5-4-13-8-11-20-17(16(13)12-15)14-6-9-19-10-7-14/h4-7,9-10,12,17,20H,8,11H2,1-3H3/p+1/t17-/m1/s1