2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C25H30N3O2+ MolecularWeight: 404.5246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H29N3O2/c1-19-7-3-4-9-22(19)18-26-13-15-27(16-14-26)25(30)17-24-23-10-6-5-8-21(23)11-12-28(24)20(2)29/h3-12,24H,13-18H2,1-2H3/p+1/t24-/m0/s1