methyl 5-chloranyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C17H21ClN3O4+ MolecularWeight: 366.81934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O4/c1-24-17(23)16-15(12-10-11(18)2-3-13(12)19-16)20-14(22)4-5-21-6-8-25-9-7-21/h2-3,10,19H,4-9H2,1H3,(H,20,22)/p+1