methyl 5-chloranyl-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H25ClN3O3+ MolecularWeight: 378.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H24ClN3O3/c1-12-5-8-23(9-6-12)10-7-16(24)22-17-14-11-13(20)3-4-15(14)21-18(17)19(25)26-2/h3-4,11-12,21H,5-10H2,1-2H3,(H,22,24)/p+1