[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl-[(2,4,5-trimethylphenyl)methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl-[(2,4,5-trimethylphenyl)methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl-[(2,4,5-trimethylphenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl-[(2,4,5-trimethylphenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl-[(2,4,5-trimethylphenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)-3-pyridyl]methyl-(2,4,5-trimethylbenzyl)ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C22H30N4O/c1-16-12-18(3)21(13-17(16)2)15-23-14-20-6-5-7-24-22(20)26-10-8-25(9-11-26)19(4)27/h5-7,12-13,23H,8-11,14-15H2,1-4H3/p+1