5-(2,2-dimethylpropanoylamino)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-5-(pivaloylamino)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)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2S/c1-16-14-19(25-22(28)23(2,3)4)29-20(16)21(27)24-18-10-12-26(13-11-18)15-17-8-6-5-7-9-17/h5-9,14,18H,10-13,15H2,1-4H3,(H,24,27)(H,25,28)/p+1