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

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

CC1(CCC[NH+](C1)CC(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC)C

Isomeric SMILES

CC1(CCC[NH+](C1)CC(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC)C

InChI

InChI=1S/C21H29N3O5/c1-21(2)7-6-8-24(12-21)11-17(25)23-18-13-9-15(27-3)16(28-4)10-14(13)22-19(18)20(26)29-5/h9-10,22H,6-8,11-12H2,1-5H3,(H,23,25)/p+1