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

Systemtic Name: 2-(3-butoxyphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]quinoline-4-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(3-butoxyphenyl)quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-4-quinolinecarboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(3-butoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(3-butoxyphenyl)cinchoninamide Formula: C32H35N4O2+ MolecularWeight: 507.6459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C32H34N4O2/c1-2-3-20-38-27-13-9-12-25(21-27)31-22-29(28-14-7-8-15-30(28)33-31)32(37)35-34-26-16-18-36(19-17-26)23-24-10-5-4-6-11-24/h4-15,21-22H,2-3,16-20,23H2,1H3,(H,35,37)/p+1