2-[(E)-but-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(E)-but-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(E)-but-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(E)-but-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(E)-but-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(E)-but-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C13H18N+ MolecularWeight: 188.28872

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

C/C=C/C[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C13H17N/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14/h2-7H,8-11H2,1H3/p+1/b3-2+