(1S)-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-isopropyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-isopropyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C12H18N+ MolecularWeight: 176.27802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2=CC=CC=C2CC[NH2+]1

Isomeric SMILES

CC(C)[C@H]1C2=CC=CC=C2CC[NH2+]1

InChI

InChI=1S/C12H17N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6,9,12-13H,7-8H2,1-2H3/p+1/t12-/m0/s1