ethyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C20H27N3O4/c1-4-26-20(25)19-18(15-7-5-6-8-16(15)21-19)22-17(24)9-10-23-11-13(2)27-14(3)12-23/h5-8,13-14,21H,4,9-12H2,1-3H3,(H,22,24)/p+1/t13-,14-/m0/s1