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

Systemtic Name: 7-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-8-methyl-quinoline-3-carboxylate Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-7-chloro-8-methyl-quinoline-3-carboxylate CAS Name: 7-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-8-methyl-3-quinolinecarboxylate IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-7-chloro-8-methylquinoline-3-carboxylate Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-7-chloro-8-methyl-quinoline-3-carboxylate Formula: C28H26ClN3O2 MolecularWeight: 471.97794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=CN=C12)C(=O)[O-])N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=CN=C12)C(=O)[O-])N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H26ClN3O2/c1-19-24(29)13-12-22-25(19)30-18-23(28(33)34)27(22)32-16-14-31(15-17-32)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,26H,14-17H2,1H3,(H,33,34)