[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-(2,4,5-trimethylphenyl)methanone

Systemtic Name: [4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-(2,4,5-trimethylphenyl)methanone Openeye Name: [4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-(2,4,5-trimethylphenyl)methanone CAS Name: [4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazinyl]-(2,4,5-trimethylphenyl)methanone IUPAC Name: [4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-(2,4,5-trimethylphenyl)methanone Traditional Name: [4-(2,6-dimethylpyridin-1-ium-4-yl)piperazino]-(2,4,5-trimethylphenyl)methanone Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N2CCN(CC2)C3=CC(=[NH+]C(=C3)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N2CCN(CC2)C3=CC(=[NH+]C(=C3)C)C)C)C

InChI

InChI=1S/C21H27N3O/c1-14-10-16(3)20(11-15(14)2)21(25)24-8-6-23(7-9-24)19-12-17(4)22-18(5)13-19/h10-13H,6-9H2,1-5H3/p+1