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

Systemtic Name: methyl 5-chloranyl-3-[[(2R)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]-methyl-amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[(2R)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]-methyl-amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[(2R)-2-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxopropyl]-methylamino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[(2R)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]-methylamino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[(2R)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]-methyl-amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H29ClN3O3+ MolecularWeight: 406.92626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)[NH+]3CCCC(C3)(C)C

Isomeric SMILES

C[C@H](C(=O)N(C)C1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)[NH+]3CCCC(C3)(C)C

InChI

InChI=1S/C21H28ClN3O3/c1-13(25-10-6-9-21(2,3)12-25)19(26)24(4)18-15-11-14(22)7-8-16(15)23-17(18)20(27)28-5/h7-8,11,13,23H,6,9-10,12H2,1-5H3/p+1/t13-/m1/s1