2-[4-[(2S)-butan-2-yl]phenyl]-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-4-19(3)20-10-12-21(13-11-20)26-18-24(23-8-6-7-9-25(23)28-26)27(32)30-29-22-14-16-31(5-2)17-15-22/h6-13,18-19H,4-5,14-17H2,1-3H3,(H,30,32)/p+1/t19-/m0/s1