methyl 1-[[5-chloranyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[5-chloranyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(5-chloro-2,3-dioxo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-chloro-2,3-dioxo-1-indolyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-chloro-2,3-dioxoindol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-chloro-2,3-diketo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H18ClN2O4+ MolecularWeight: 337.77812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O

InChI

InChI=1S/C16H17ClN2O4/c1-23-16(22)10-4-6-18(7-5-10)9-19-13-3-2-11(17)8-12(13)14(20)15(19)21/h2-3,8,10H,4-7,9H2,1H3/p+1