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

Systemtic Name: 2-(4-ethoxyphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]quinoline-4-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-4-quinolinecarboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-p-phenetyl-cinchoninamide Formula: C30H31N4O2+ MolecularWeight: 479.59274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O2/c1-2-36-25-14-12-23(13-15-25)29-20-27(26-10-6-7-11-28(26)31-29)30(35)33-32-24-16-18-34(19-17-24)21-22-8-4-3-5-9-22/h3-15,20H,2,16-19,21H2,1H3,(H,33,35)/p+1