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

Systemtic Name: methyl 5-chloranyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3/c1-25-18(24)17-16(13-11-12(19)5-6-14(13)20-17)21-15(23)7-10-22-8-3-2-4-9-22/h5-6,11,20H,2-4,7-10H2,1H3,(H,21,23)/p+1