1-[(5-azanyl-1,3-dihydroisoindol-2-yl)carbonyl]-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid

Systemtic Name: 1-[(5-azanyl-1,3-dihydroisoindol-2-yl)carbonyl]-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid Openeye Name: 1-(5-aminoisoindoline-2-carbonyl)-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid CAS Name: 1-[(5-amino-1,3-dihydroisoindol-2-yl)-oxomethyl]-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(5-amino-1,3-dihydroisoindole-2-carbonyl)-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid Traditional Name: 1-(5-aminoisoindoline-2-carbonyl)-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid Formula: C26H30N5O4+ MolecularWeight: 476.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(CCCC[N+]1(C(=O)N2CC3=C(C2)C=C(C=C3)N)C(=O)O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCNC(=O)C1(CCCC[N+]1(C(=O)N2CC3=C(C2)C=C(C=C3)N)C(=O)O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H29N5O4/c1-2-28-23(32)26(21-14-29-22-8-4-3-7-20(21)22)11-5-6-12-31(26,25(34)35)24(33)30-15-17-9-10-19(27)13-18(17)16-30/h3-4,7-10,13-14,29H,2,5-6,11-12,15-16,27H2,1H3,(H-,28,32,34,35)/p+1