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

Systemtic Name: 5-azanyl-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-pentan-1-one Openeye Name: 5-amino-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-pentan-1-one CAS Name: 5-amino-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-1-pentanone IUPAC Name: 5-amino-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methylpentan-1-one Traditional Name: 5-amino-1-[2-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]-3-methyl-pentan-1-one Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N4O/c1-16(6-9-21)12-20(25)24(11-8-19-13-22-15-23-19)10-7-17-4-2-3-5-18(17)14-24/h2-5,13,15-16H,6-12,14,21H2,1H3,(H,22,23)/q+1