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

Systemtic Name: methyl 3-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC)C

Isomeric SMILES

CC1(CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC)C

InChI

InChI=1S/C20H27N3O4/c1-20(2)8-5-9-23(12-20)11-16(24)22-17-14-7-6-13(26-3)10-15(14)21-18(17)19(25)27-4/h6-7,10,21H,5,8-9,11-12H2,1-4H3,(H,22,24)/p+1