methyl 5-methyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-(3-morpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCOCC3)C(=O)OC

InChI

InChI=1S/C18H23N3O4/c1-12-3-4-14-13(11-12)16(17(19-14)18(23)24-2)20-15(22)5-6-21-7-9-25-10-8-21/h3-4,11,19H,5-10H2,1-2H3,(H,20,22)/p+1