2-(2,5-dimethoxyphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: 2-(2,5-dimethoxyphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,5-dimethoxyphenyl)cinchoninamide Formula: C30H32N3O3+ MolecularWeight: 482.59338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c1-35-23-12-13-29(36-2)26(18-23)28-19-25(24-10-6-7-11-27(24)32-28)30(34)31-22-14-16-33(17-15-22)20-21-8-4-3-5-9-21/h3-13,18-19,22H,14-17,20H2,1-2H3,(H,31,34)/p+1