methyl 4-chloranyl-3-(2-morpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-(2-morpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C16H19ClN3O4+ MolecularWeight: 352.79276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C16H18ClN3O4/c1-23-16(22)15-14(13-10(17)3-2-4-11(13)18-15)19-12(21)9-20-5-7-24-8-6-20/h2-4,18H,5-9H2,1H3,(H,19,21)/p+1