(2S)-1-(4-methylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C20H31N3O3S/c1-15(2)22-13-10-17(11-14-22)21-20(24)19-5-4-12-23(19)27(25,26)18-8-6-16(3)7-9-18/h6-9,15,17,19H,4-5,10-14H2,1-3H3,(H,21,24)/p+1/t19-/m0/s1