ethyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C21H29N3O5/c1-5-28-21(26)20-19(16-10-15(27-4)6-7-17(16)22-20)23-18(25)8-9-24-11-13(2)29-14(3)12-24/h6-7,10,13-14,22H,5,8-9,11-12H2,1-4H3,(H,23,25)/p+1/t13-,14-/m0/s1