(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(1-mesyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidin-1-ium-2-carboxamide Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C3CCC[NH2+]3

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=C(C=C2)NC(=O)[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C15H21N3O3S/c1-22(20,21)18-9-3-4-11-6-7-12(10-14(11)18)17-15(19)13-5-2-8-16-13/h6-7,10,13,16H,2-5,8-9H2,1H3,(H,17,19)/p+1/t13-/m0/s1