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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)C(C)C

InChI

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