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

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-(4-p-anisylpiperazin-4-ium-1-yl)ethanone Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O3/c1-19(29)28-12-11-21-5-3-4-6-23(21)24(28)17-25(30)27-15-13-26(14-16-27)18-20-7-9-22(31-2)10-8-20/h3-12,24H,13-18H2,1-2H3/p+1/t24-/m0/s1