[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-(4-isopropylbenzyl)ammonium Formula: C22H32N4O+2 MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-17(2)20-8-6-19(7-9-20)15-23-16-21-5-4-10-24-22(21)26-13-11-25(12-14-26)18(3)27/h4-10,17,23H,11-16H2,1-3H3/p+2