(3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(3-methylbut-2-enyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(3-methylbut-2-enyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-(3-methylbut-2-enyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(3-methylbut-2-enyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(3-methylbut-2-enyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(3-methylbut-2-enyl)piperazin-4-ium-2-one Formula: C20H28N3O2+ MolecularWeight: 342.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCNC(=O)C1CC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC(=CC[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C20H27N3O2/c1-15(2)7-10-22-12-9-21-20(25)18(22)13-19(24)23-11-8-16-5-3-4-6-17(16)14-23/h3-7,18H,8-14H2,1-2H3,(H,21,25)/p+1/t18-/m1/s1