ethyl 5-bromanyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C18H23BrN3O4+ MolecularWeight: 425.29692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O4/c1-2-26-18(24)17-16(13-11-12(19)3-4-14(13)20-17)21-15(23)5-6-22-7-9-25-10-8-22/h3-4,11,20H,2,5-10H2,1H3,(H,21,23)/p+1