4-(3,4-dihydroisoquinolin-2-ium-2-yl)butan-2-one chloride

Systemtic Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butan-2-one chloride Openeye Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butan-2-one chloride CAS Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)-2-butanone chloride IUPAC Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butan-2-one chloride Traditional Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butan-2-one chloride Formula: C13H16ClNO MolecularWeight: 237.72524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[N+]1=CC2=CC=CC=C2CC1.[Cl-]

Isomeric SMILES

CC(=O)CC[N+]1=CC2=CC=CC=C2CC1.[Cl-]

InChI

InChI=1S/C13H16NO.ClH/c1-11(15)6-8-14-9-7-12-4-2-3-5-13(12)10-14;/h2-5,10H,6-9H2,1H3;1H/q+1;/p-1