ethyl 3-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethanoylamino]-5-methoxy-1H-indole-2-carboxylate chloride

Systemtic Name: ethyl 3-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethanoylamino]-5-methoxy-1H-indole-2-carboxylate chloride Openeye Name: ethyl 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate chloride CAS Name: 3-[[2-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester chloride IUPAC Name: ethyl 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate chloride Traditional Name: 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester chloride Formula: C21H30ClN3O4 MolecularWeight: 423.9336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCCC(C3)(C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCCC(C3)(C)C.[Cl-]

InChI

InChI=1S/C21H29N3O4.ClH/c1-5-28-20(26)19-18(15-11-14(27-4)7-8-16(15)22-19)23-17(25)12-24-10-6-9-21(2,3)13-24;/h7-8,11,22H,5-6,9-10,12-13H2,1-4H3,(H,23,25);1H