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

Systemtic Name: methyl 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC)C

InChI

InChI=1S/C21H29N3O5/c1-12-6-13(2)10-24(9-12)11-18(25)23-19-14-7-16(27-3)17(28-4)8-15(14)22-20(19)21(26)29-5/h7-8,12-13,22H,6,9-11H2,1-5H3,(H,23,25)/p+1/t12-,13-/m0/s1