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

Systemtic Name: methyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxopropyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C20H27N3O5/c1-12-10-23(11-13(2)28-12)9-8-16(24)22-18-17-14(6-5-7-15(17)26-3)21-19(18)20(25)27-4/h5-7,12-13,21H,8-11H2,1-4H3,(H,22,24)/p+1/t12-,13-/m0/s1