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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-4-13-30-14-11-21(12-15-30)28-29-26(31)23-17-25(20-10-9-18(2)19(3)16-20)27-24-8-6-5-7-22(23)24/h5-10,16-17H,4,11-15H2,1-3H3,(H,29,31)/p+1