(2S)-N-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2S)-N-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2S)-N-allyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2S)-N-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2S)-N-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2S)-N-allyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C15H21N2O+ MolecularWeight: 245.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

C[C@@H](C(=O)NCC=C)[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C15H20N2O/c1-3-9-16-15(18)12(2)17-10-8-13-6-4-5-7-14(13)11-17/h3-7,12H,1,8-11H2,2H3,(H,16,18)/p+1/t12-/m0/s1