methyl 4-chloranyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3/c1-11-5-4-8-22(9-11)10-14(23)21-16-15-12(19)6-3-7-13(15)20-17(16)18(24)25-2/h3,6-7,11,20H,4-5,8-10H2,1-2H3,(H,21,23)/p+1/t11-/m1/s1