7-chloranyl-8-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline-3-carboxylate

Systemtic Name: 7-chloranyl-8-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline-3-carboxylate Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-chloro-8-methyl-quinoline-3-carboxylate CAS Name: 7-chloro-8-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-quinolinecarboxylate IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-chloro-8-methylquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-chloro-8-methyl-quinoline-3-carboxylate Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=CN=C12)C(=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=CN=C12)C(=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c1-15-19(23)8-7-17-20(15)24-13-18(22(27)28)21(17)26-11-9-25(10-12-26)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,27,28)