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

Systemtic Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(phenylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(phenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c26-21(25-12-10-18-8-4-5-9-19(18)16-25)14-20-22(27)23-11-13-24(20)15-17-6-2-1-3-7-17/h1-9,20H,10-16H2,(H,23,27)/p+1/t20-/m1/s1