2-(4-propan-2-ylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide

Systemtic Name: 2-(4-propan-2-ylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(4-propan-2-ylphenyl)-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(4-propan-2-ylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-p-cumenyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C27H33N4O+ MolecularWeight: 429.57712

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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)C)CC1

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-4-15-31-16-13-22(14-17-31)29-30-27(32)24-18-26(28-25-8-6-5-7-23(24)25)21-11-9-20(10-12-21)19(2)3/h5-12,18-19H,4,13-17H2,1-3H3,(H,30,32)/p+1