methyl 3-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC)C

InChI

InChI=1S/C21H29N3O4/c1-13-9-14(2)12-24(11-13)8-7-18(25)23-19-16-6-5-15(27-3)10-17(16)22-20(19)21(26)28-4/h5-6,10,13-14,22H,7-9,11-12H2,1-4H3,(H,23,25)/p+1/t13-,14-/m0/s1