2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1,1-dicarboxylic acid

Systemtic Name: 2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1,1-dicarboxylic acid Openeye Name: 2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1,1-dicarboxylic acid CAS Name: 2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1,1-dicarboxylic acid IUPAC Name: 2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1,1-dicarboxylic acid Traditional Name: 2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1,1-dicarboxylic acid Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(CCCC[N+]1(C(=O)O)C(=O)O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCNC(=O)C1(CCCC[N+]1(C(=O)O)C(=O)O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H21N3O5/c1-2-19-15(22)18(13-11-20-14-8-4-3-7-12(13)14)9-5-6-10-21(18,16(23)24)17(25)26/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3,(H2-,19,22,23,24,25,26)/p+1