methyl 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate CAS Name: 6-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 6-[4-(2,5-dimethylphenyl)piperazino]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-14-4-5-15(2)17(12-14)21-8-10-22(11-9-21)18-7-6-16(13-20-18)19(23)24-3/h4-7,12-13H,8-11H2,1-3H3/p+1