1-[(5,6-dimethoxy-1H-indol-2-yl)carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(5,6-dimethoxy-1H-indol-2-yl)carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(5,6-dimethoxy-1H-indole-2-carbonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(5,6-dimethoxy-1H-indol-2-yl)-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(5,6-dimethoxy-1H-indole-2-carbonyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(5,6-dimethoxy-1H-indole-2-carbonyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(N2)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(N2)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)OC

InChI

InChI=1S/C22H30N4O4/c1-29-18-13-15-12-17(24-16(15)14-19(18)30-2)20(27)25-10-6-22(7-11-25,21(23)28)26-8-4-3-5-9-26/h12-14,24H,3-11H2,1-2H3,(H2,23,28)/p+1