(1S)-1-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-1-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C13H20N+ MolecularWeight: 190.3046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2CC[NH2+]1

Isomeric SMILES

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

InChI

InChI=1S/C13H19N/c1-2-3-8-13-12-7-5-4-6-11(12)9-10-14-13/h4-7,13-14H,2-3,8-10H2,1H3/p+1/t13-/m0/s1