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

Systemtic Name: 5-[(2S)-1-[[4-(dimethylamino)-2-methyl-phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[[4-(dimethylamino)-2-methyl-phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[[4-(dimethylamino)-2-methylphenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[4-(dimethylamino)-2-methyl-benzyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C)C)C[NH+]2CCCC2C3=CC=C(S3)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N(C)C)C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)N

InChI

InChI=1S/C19H25N3OS/c1-13-11-15(21(2)3)7-6-14(13)12-22-10-4-5-16(22)17-8-9-18(24-17)19(20)23/h6-9,11,16H,4-5,10,12H2,1-3H3,(H2,20,23)/p+1/t16-/m0/s1