2-(1,3-benzodioxol-5-yl)-6-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-1-ium-4-yl)-6-methoxy-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-1-ium-4-yl)-6-methoxyquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-1-ium-4-yl)-6-methoxy-cinchoninamide Formula: C30H30N3O4+ MolecularWeight: 496.5769

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H29N3O4/c1-35-23-8-9-26-24(16-23)25(17-27(32-26)21-7-10-28-29(15-21)37-19-36-28)30(34)31-22-11-13-33(14-12-22)18-20-5-3-2-4-6-20/h2-10,15-17,22H,11-14,18-19H2,1H3,(H,31,34)/p+1