(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-tetrahydrothiopyran-4-yl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-(4-thianyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-(thian-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-tetrahydrothiopyran-4-yl-pyrrolidin-1-ium-2-carboxamide Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+]3C4CCSCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+]3C4CCSCC4

InChI

InChI=1S/C23H28N2O2S/c1-27-21-5-2-4-18(16-21)17-7-9-19(10-8-17)24-23(26)22-6-3-13-25(22)20-11-14-28-15-12-20/h2,4-5,7-10,16,20,22H,3,6,11-15H2,1H3,(H,24,26)/p+1/t22-/m1/s1