methyl 5-azanyl-2-[5-[1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]pentoxy]benzoate chloride

Systemtic Name: methyl 5-azanyl-2-[5-[1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]pentoxy]benzoate chloride Openeye Name: methyl 5-amino-2-[5-(1,3-dioxoisoindolin-2-ium-2-yl)pentoxy]benzoate chloride CAS Name: 5-amino-2-[5-(1,3-dioxo-2-isoindol-2-iumyl)pentoxy]benzoic acid methyl ester chloride IUPAC Name: methyl 5-amino-2-[5-(1,3-dioxoisoindol-2-ium-2-yl)pentoxy]benzoate chloride Traditional Name: 5-amino-2-[5-(1,3-diketoisoindolin-2-ium-2-yl)pentoxy]benzoic acid methyl ester chloride Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N)OCCCCC[NH+]2C(=O)C3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N)OCCCCC[NH+]2C(=O)C3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C21H22N2O5.ClH/c1-27-21(26)17-13-14(22)9-10-18(17)28-12-6-2-5-11-23-19(24)15-7-3-4-8-16(15)20(23)25;/h3-4,7-10,13H,2,5-6,11-12,22H2,1H3;1H