2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline-7-carboxylic acid

Systemtic Name: 2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline-7-carboxylic acid Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-quinoline-7-carboxylic acid CAS Name: 2-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7-quinolinecarboxylic acid IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methylquinoline-7-carboxylic acid Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-quinoline-7-carboxylic acid Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)O)C(=C1)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)O)C(=C1)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-16-13-21(19-8-7-18(22(26)27)14-20(19)23-16)25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,27)/p+1