2-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[(1-propan-2-yl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C24H26ClN4O+ MolecularWeight: 421.94244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O/c1-16(2)29-13-11-19(12-14-29)27-28-24(30)21-15-23(17-7-9-18(25)10-8-17)26-22-6-4-3-5-20(21)22/h3-10,15-16H,11-14H2,1-2H3,(H,28,30)/p+1