2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate

Systemtic Name: 2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate Openeye Name: 2-methyl-4-oxo-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate CAS Name: 2-methyl-4-oxo-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinoline-6-carboxylate IUPAC Name: 2-methyl-4-oxo-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)[O-])C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)[O-])C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-15-19(21(26)18-13-16(22(27)28)7-8-20(18)23-15)14-24-9-11-25(12-10-24)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,23,26)(H,27,28)