ethyl 2,6-dimethyl-4-(4-phenylpiperazin-4-ium-1-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-4-(4-phenylpiperazin-4-ium-1-yl)pyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-4-(4-phenylpiperazin-4-ium-1-yl)pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(4-phenyl-1-piperazin-4-iumyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-4-(4-phenylpiperazin-4-ium-1-yl)pyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(4-phenylpiperazin-4-ium-1-yl)nicotinic acid ethyl ester Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1N2CC[NH+](CC2)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1N2CC[NH+](CC2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H25N3O2/c1-4-25-20(24)19-16(3)21-15(2)14-18(19)23-12-10-22(11-13-23)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3/p+1