3-(5-chloranyl-1-methyl-indol-2-yl)sulfonylpropanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate

Systemtic Name: 3-(5-chloranyl-1-methyl-indol-2-yl)sulfonylpropanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate Openeye Name: 3-(5-chloro-1-methyl-indol-2-yl)sulfonylpropanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate CAS Name: 1-(methylamino)-1-piperidin-1-iumcarboxylic acid [3-[(5-chloro-1-methyl-2-indolyl)sulfonyl]-1-oxopropyl] ester IUPAC Name: 3-(5-chloro-1-methylindol-2-yl)sulfonylpropanoyl 1-(methylamino)piperidin-1-ium-1-carboxylate Traditional Name: 1-(methylamino)piperidin-1-ium-1-carboxylic acid 3-(5-chloro-1-methyl-indol-2-yl)sulfonylpropanoyl ester Formula: C19H25ClN3O5S+ MolecularWeight: 442.9369

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(CCCCC1)C(=O)OC(=O)CCS(=O)(=O)C2=CC3=C(N2C)C=CC(=C3)Cl

Isomeric SMILES

CN[N+]1(CCCCC1)C(=O)OC(=O)CCS(=O)(=O)C2=CC3=C(N2C)C=CC(=C3)Cl

InChI

InChI=1S/C19H25ClN3O5S/c1-21-23(9-4-3-5-10-23)19(25)28-18(24)8-11-29(26,27)17-13-14-12-15(20)6-7-16(14)22(17)2/h6-7,12-13,21H,3-5,8-11H2,1-2H3/q+1