N-(3-methylphenyl)-5-[(2R)-1-(oxan-4-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(3-methylphenyl)-5-[(2R)-1-(oxan-4-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(m-tolyl)-5-[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(3-methylphenyl)-5-[(2R)-1-(4-oxanylmethyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(3-methylphenyl)-5-[(2R)-1-(oxan-4-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(m-tolyl)-5-[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=C(S2)C3CCC[NH+]3CC4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4CCOCC4

InChI

InChI=1S/C22H28N2O2S/c1-16-4-2-5-18(14-16)23-22(25)21-8-7-20(27-21)19-6-3-11-24(19)15-17-9-12-26-13-10-17/h2,4-5,7-8,14,17,19H,3,6,9-13,15H2,1H3,(H,23,25)/p+1/t19-/m1/s1