[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl-[[4-(2-methylpropyl)phenyl]methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl-[[4-(2-methylpropyl)phenyl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl-[(4-isobutylphenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl-[[4-(2-methylpropyl)phenyl]methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl-[[4-(2-methylpropyl)phenyl]methyl]azanium Traditional Name: [2-(4-acetylpiperazino)-3-pyridyl]methyl-(4-isobutylbenzyl)ammonium Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H32N4O/c1-18(2)15-20-6-8-21(9-7-20)16-24-17-22-5-4-10-25-23(22)27-13-11-26(12-14-27)19(3)28/h4-10,18,24H,11-17H2,1-3H3/p+1