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

Systemtic Name: 1-[(5-benzamido-1,3-dihydroisoindol-2-yl)carbonyl]-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid Openeye Name: 1-(5-benzamidoisoindoline-2-carbonyl)-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid CAS Name: 1-[(5-benzamido-1,3-dihydroisoindol-2-yl)-oxomethyl]-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(5-benzamido-1,3-dihydroisoindole-2-carbonyl)-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid Traditional Name: 1-(5-benzamidoisoindoline-2-carbonyl)-2-(ethylcarbamoyl)-2-(1H-indol-3-yl)piperidin-1-ium-1-carboxylic acid Formula: C33H34N5O5+ MolecularWeight: 580.65356

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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)NC(=O)C4=CC=CC=C4)C(=O)O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CCNC(=O)C1(CCCC[N+]1(C(=O)N2CC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C33H33N5O5/c1-2-34-30(40)33(27-19-35-28-13-7-6-12-26(27)28)16-8-9-17-38(33,32(42)43)31(41)37-20-23-14-15-25(18-24(23)21-37)36-29(39)22-10-4-3-5-11-22/h3-7,10-15,18-19,35H,2,8-9,16-17,20-21H2,1H3,(H2-,34,36,39,40,42,43)/p+1