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

Systemtic Name: methyl 3-[2-(3,3-dimethylpiperidin-1-ium-1-yl)ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCCC(C3)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCCC(C3)(C)C)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-13-6-7-15-14(10-13)17(18(21-15)19(25)26-4)22-16(24)11-23-9-5-8-20(2,3)12-23/h6-7,10,21H,5,8-9,11-12H2,1-4H3,(H,22,24)/p+1