methyl 4-chloranyl-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H25ClN3O3+ MolecularWeight: 378.8731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O3/c1-11-7-12(2)9-23(8-11)10-15(24)22-17-16-13(20)5-4-6-14(16)21-18(17)19(25)26-3/h4-6,11-12,21H,7-10H2,1-3H3,(H,22,24)/p+1/t11-,12-/m0/s1