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

Systemtic Name: 2-(3-butoxyphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[(1-ethyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)CC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)CC

InChI

InChI=1S/C27H32N4O2/c1-3-5-17-33-22-10-8-9-20(18-22)26-19-24(23-11-6-7-12-25(23)28-26)27(32)30-29-21-13-15-31(4-2)16-14-21/h6-12,18-19H,3-5,13-17H2,1-2H3,(H,30,32)/p+1