1-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C22H30N4O2/c1-16-20(17-7-3-4-8-18(17)24-16)19(27)15-25-13-9-22(10-14-25,21(23)28)26-11-5-2-6-12-26/h3-4,7-8,24H,2,5-6,9-15H2,1H3,(H2,23,28)/p+1