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

Systemtic Name: ethyl 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-5-methoxy-1-methyl-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-5-methoxy-1-methyl-indole-2-carboxylate CAS Name: 3-[[2-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxoethyl]amino]-5-methoxy-1-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate Traditional Name: 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-5-methoxy-1-methyl-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(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C21H29N3O5/c1-6-28-21(26)20-19(16-9-15(27-5)7-8-17(16)23(20)4)22-18(25)12-24-10-13(2)29-14(3)11-24/h7-9,13-14H,6,10-12H2,1-5H3,(H,22,25)/p+1/t13-,14-/m0/s1