5-(2,2-dimethylpropanoylamino)-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 3-methyl-5-(pivaloylamino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C23H31N3O2S/c1-16-13-19(25-22(28)23(2,3)4)29-20(16)21(27)24-14-17-7-9-18(10-8-17)15-26-11-5-6-12-26/h7-10,13H,5-6,11-12,14-15H2,1-4H3,(H,24,27)(H,25,28)/p+1