2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-8-carboxylate

Systemtic Name: 2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-8-carboxylate Openeye Name: 2-methyl-4-oxo-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-8-carboxylate CAS Name: 2-methyl-4-oxo-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinoline-8-carboxylate IUPAC Name: 2-methyl-4-oxo-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-8-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-8-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)17-8-5-9-18(22(27)28)20(17)23-15)14-24-10-12-25(13-11-24)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H,23,26)(H,27,28)