2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-4-quinolinecarboxamide IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]cinchoninamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)N)OC)OC

InChI

InChI=1S/C24H28N4O3/c1-16-12-21(30-2)22(31-3)13-17(16)15-27-8-10-28(11-9-27)23-14-19(24(25)29)18-6-4-5-7-20(18)26-23/h4-7,12-14H,8-11,15H2,1-3H3,(H2,25,29)/p+1