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

Systemtic Name: methyl 5-methyl-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCCC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCCC3)C(=O)OC

InChI

InChI=1S/C18H23N3O3/c1-12-5-6-14-13(11-12)16(17(19-14)18(23)24-2)20-15(22)7-10-21-8-3-4-9-21/h5-6,11,19H,3-4,7-10H2,1-2H3,(H,20,22)/p+1