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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3/c1-12-8-13(2)11-24(10-12)7-6-17(25)23-18-15-9-14(21)4-5-16(15)22-19(18)20(26)27-3/h4-5,9,12-13,22H,6-8,10-11H2,1-3H3,(H,23,25)/p+1/t12-,13-/m0/s1