N-(2,3-dimethylphenyl)-2-[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C29H30N5O2+ MolecularWeight: 480.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5)C

InChI

InChI=1S/C29H29N5O2/c1-20-7-5-11-25(21(20)2)32-28(35)19-33-13-15-34(16-14-33)29(36)24-17-27(22-8-6-12-30-18-22)31-26-10-4-3-9-23(24)26/h3-12,17-18H,13-16,19H2,1-2H3,(H,32,35)/p+1