7-chloranyl-8-methyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 7-chloranyl-8-methyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid hydrochloride Openeye Name: 4-(4-benzylpiperazin-1-yl)-7-chloro-8-methyl-quinoline-3-carboxylic acid hydrochloride CAS Name: 7-chloro-8-methyl-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 4-(4-benzylpiperazin-1-yl)-7-chloro-8-methylquinoline-3-carboxylic acid hydrochloride Traditional Name: 4-(4-benzylpiperazino)-7-chloro-8-methyl-quinoline-3-carboxylic acid hydrochloride Formula: C22H23Cl2N3O2 MolecularWeight: 432.34292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=CN=C12)C(=O)O)N3CCN(CC3)CC4=CC=CC=C4)Cl.Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=CN=C12)C(=O)O)N3CCN(CC3)CC4=CC=CC=C4)Cl.Cl

InChI

InChI=1S/C22H22ClN3O2.ClH/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);1H