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

Systemtic Name: prop-2-enyl 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C21H26N3O2+ MolecularWeight: 352.45004

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-4-13-26-21(25)18-7-8-20(22-15-18)24-11-9-23(10-12-24)19-14-16(2)5-6-17(19)3/h4-8,14-15H,1,9-13H2,2-3H3/p+1