N-(2-methylcyclohexyl)-1,3-bis(oxidanylidene)-2-pyridin-1-ium-2-yl-isoindole-5-carboxamide

Systemtic Name: N-(2-methylcyclohexyl)-1,3-bis(oxidanylidene)-2-pyridin-1-ium-2-yl-isoindole-5-carboxamide Openeye Name: N-(2-methylcyclohexyl)-1,3-dioxo-2-pyridin-1-ium-2-yl-isoindoline-5-carboxamide CAS Name: N-(2-methylcyclohexyl)-1,3-dioxo-2-(2-pyridin-1-iumyl)-5-isoindolecarboxamide IUPAC Name: N-(2-methylcyclohexyl)-1,3-dioxo-2-pyridin-1-ium-2-ylisoindole-5-carboxamide Traditional Name: 1,3-diketo-N-(2-methylcyclohexyl)-2-pyridin-1-ium-2-yl-isoindoline-5-carboxamide Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H21N3O3/c1-13-6-2-3-7-17(13)23-19(25)14-9-10-15-16(12-14)21(27)24(20(15)26)18-8-4-5-11-22-18/h4-5,8-13,17H,2-3,6-7H2,1H3,(H,23,25)/p+1