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

Systemtic Name: prop-2-enyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: allyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridin-1-iumcarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 6-[4-(3-chlorophenyl)piperazino]pyridin-1-ium-3-carboxylic acid allyl ester Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C=CCOC(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20ClN3O2/c1-2-12-25-19(24)15-6-7-18(21-14-15)23-10-8-22(9-11-23)17-5-3-4-16(20)13-17/h2-7,13-14H,1,8-12H2/p+1