N-(2,2-dimethyl-3-piperidin-1-ium-1-yl-propyl)-N-(phenylmethyl)thiophene-2-carboxamide

Systemtic Name: N-(2,2-dimethyl-3-piperidin-1-ium-1-yl-propyl)-N-(phenylmethyl)thiophene-2-carboxamide Openeye Name: N-benzyl-N-(2,2-dimethyl-3-piperidin-1-ium-1-yl-propyl)thiophene-2-carboxamide CAS Name: N-[2,2-dimethyl-3-(1-piperidin-1-iumyl)propyl]-N-(phenylmethyl)-2-thiophenecarboxamide IUPAC Name: N-benzyl-N-(2,2-dimethyl-3-piperidin-1-ium-1-ylpropyl)thiophene-2-carboxamide Traditional Name: N-benzyl-N-(2,2-dimethyl-3-piperidin-1-ium-1-yl-propyl)thiophene-2-carboxamide Formula: C22H31N2OS+ MolecularWeight: 371.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCCC1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C[NH+]1CCCCC1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H30N2OS/c1-22(2,17-23-13-7-4-8-14-23)18-24(16-19-10-5-3-6-11-19)21(25)20-12-9-15-26-20/h3,5-6,9-12,15H,4,7-8,13-14,16-18H2,1-2H3/p+1