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

Systemtic Name: methyl 5-chloranyl-3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[3-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H27ClN3O3+ MolecularWeight: 392.89968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CC1(CCC[NH+](C1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C20H26ClN3O3/c1-20(2)8-4-9-24(12-20)10-7-16(25)23-17-14-11-13(21)5-6-15(14)22-18(17)19(26)27-3/h5-6,11,22H,4,7-10,12H2,1-3H3,(H,23,25)/p+1