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

Systemtic Name: ethyl 5-bromanyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H23BrN3O3+ MolecularWeight: 409.29752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O3/c1-2-25-18(24)17-16(13-10-12(19)6-7-14(13)20-17)21-15(23)11-22-8-4-3-5-9-22/h6-7,10,20H,2-5,8-9,11H2,1H3,(H,21,23)/p+1