methyl 5-chloranyl-3-(2-pyrrolidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-(2-pyrrolidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C16H19ClN3O3+ MolecularWeight: 336.79336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C16H18ClN3O3/c1-23-16(22)15-14(11-8-10(17)4-5-12(11)18-15)19-13(21)9-20-6-2-3-7-20/h4-5,8,18H,2-3,6-7,9H2,1H3,(H,19,21)/p+1