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

Systemtic Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(furan-3-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-(3-furylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(3-furanylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(3-furfuryl)piperazin-4-ium-2-one Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3C(=O)NCC[NH+]3CC4=COC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=COC=C4

InChI

InChI=1S/C20H23N3O3/c24-19(23-8-5-16-3-1-2-4-17(16)13-23)11-18-20(25)21-7-9-22(18)12-15-6-10-26-14-15/h1-4,6,10,14,18H,5,7-9,11-13H2,(H,21,25)/p+1/t18-/m1/s1