[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[(4-methoxy-2,5-dimethylphenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(4-methoxy-2,5-dimethylphenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-(4-methoxy-2,5-dimethyl-benzyl)ammonium Formula: C22H32N4O2+2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-16-13-21(28-4)17(2)12-20(16)15-23-14-19-6-5-7-24-22(19)26-10-8-25(9-11-26)18(3)27/h5-7,12-13,23H,8-11,14-15H2,1-4H3/p+2