1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C21H26N3O+ MolecularWeight: 336.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O/c25-21(24-11-10-18-6-4-5-7-19(18)16-24)17-22-12-14-23(15-13-22)20-8-2-1-3-9-20/h1-9H,10-17H2/p+1