(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-ethyl-1-indan-2-yl-4-[(3-methyl-2-thienyl)methylamino]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-[(3-methyl-2-thiophenyl)methylamino]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-ethyl-1-indan-2-yl-4-[(3-methyl-2-thienyl)methylamino]pyrrolidin-1-ium-2-carboxamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(C[NH+]1C2CC3=CC=CC=C3C2)NCC4=C(C=CS4)C

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@H](C[NH+]1C2CC3=CC=CC=C3C2)NCC4=C(C=CS4)C

InChI

InChI=1S/C22H29N3OS/c1-3-23-22(26)20-12-18(24-13-21-15(2)8-9-27-21)14-25(20)19-10-16-6-4-5-7-17(16)11-19/h4-9,18-20,24H,3,10-14H2,1-2H3,(H,23,26)/p+1/t18-,20+/m1/s1