2-(4-tert-butylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-[(1-ethyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-5-31-16-14-21(15-17-31)29-30-26(32)23-18-25(28-24-9-7-6-8-22(23)24)19-10-12-20(13-11-19)27(2,3)4/h6-13,18H,5,14-17H2,1-4H3,(H,30,32)/p+1