5-[(2S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[3-(ethoxymethyl)-4-methoxy-benzyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C[NH+]2CCCC2C3=CC=C(S3)C(=O)N)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)N)OC

InChI

InChI=1S/C20H26N2O3S/c1-3-25-13-15-11-14(6-7-17(15)24-2)12-22-10-4-5-16(22)18-8-9-19(26-18)20(21)23/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H2,21,23)/p+1/t16-/m0/s1