4-azanyl-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-butan-1-one

Systemtic Name: 4-azanyl-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-butan-1-one Openeye Name: 4-amino-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-butan-1-one CAS Name: 4-amino-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-1-butanone IUPAC Name: 4-amino-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methylbutan-1-one Traditional Name: 4-amino-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-butan-1-one Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[N+]1(CCC2=CC=CC=C2C1)CCC3=CN=CN3)CN

Isomeric SMILES

CC(CC(=O)[N+]1(CCC2=CC=CC=C2C1)CCC3=CN=CN3)CN

InChI

InChI=1S/C19H27N4O/c1-15(11-20)10-19(24)23(9-7-18-12-21-14-22-18)8-6-16-4-2-3-5-17(16)13-23/h2-5,12,14-15H,6-11,13,20H2,1H3,(H,21,22)/q+1