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

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

CCC1CCCC[NH+]1CC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O3/c1-3-13-6-4-5-9-23(13)11-16(24)22-17-14-10-12(20)7-8-15(14)21-18(17)19(25)26-2/h7-8,10,13,21H,3-6,9,11H2,1-2H3,(H,22,24)/p+1/t13-/m1/s1