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

Systemtic Name: ethyl 5-bromanyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C19H25BrN3O3+ MolecularWeight: 423.3241

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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+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C19H24BrN3O3/c1-2-26-19(25)18-17(14-12-13(20)6-7-15(14)21-18)22-16(24)8-11-23-9-4-3-5-10-23/h6-7,12,21H,2-5,8-11H2,1H3,(H,22,24)/p+1