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(2,4-dimethylphenyl)methyl-methyl-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium

(2,4-dimethylphenyl)methyl-methyl-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium

Systemtic Name:(2,4-dimethylphenyl)methyl-methyl-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium
Openeye Name:(2,4-dimethylphenyl)methyl-methyl-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]ammonium
CAS Name:(2,4-dimethylphenyl)methyl-methyl-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]ammonium
IUPAC Name:(2,4-dimethylphenyl)methyl-methyl-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium
Traditional Name:(2,4-dimethylbenzyl)-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-methyl-ammonium
Formula: C22H32N4O+2
MolecularWeight: 368.51568
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C


Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C


InChI

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


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