methyl 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylic acid methyl ester Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H25N3O2/c1-17-19-10-6-7-11-20(19)24-21(22(17)23(27)28-2)16-25-12-14-26(15-13-25)18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3/p+1