2-(3,4-dimethylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[(1-ethyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C)CC1

Isomeric SMILES

CC[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C)CC1

InChI

InChI=1S/C25H28N4O/c1-4-29-13-11-20(12-14-29)27-28-25(30)22-16-24(19-10-9-17(2)18(3)15-19)26-23-8-6-5-7-21(22)23/h5-10,15-16H,4,11-14H2,1-3H3,(H,28,30)/p+1