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

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

CC1CC(C[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC)C

InChI

InChI=1S/C20H27N3O3/c1-12-5-6-16-15(8-12)18(19(21-16)20(25)26-4)22-17(24)11-23-9-13(2)7-14(3)10-23/h5-6,8,13-14,21H,7,9-11H2,1-4H3,(H,22,24)/p+1/t13-,14-/m1/s1