4-bromanyl-5-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide

Systemtic Name: 4-bromanyl-5-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-bromo-5-ethyl-thiophene-2-carboxamide CAS Name: 4-bromo-5-ethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-bromo-5-ethylthiophene-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-bromo-5-ethyl-thiophene-2-carboxamide Formula: C19H24BrN2OS+ MolecularWeight: 408.37566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C19H23BrN2OS/c1-2-17-16(20)12-18(24-17)19(23)21-15-8-10-22(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,21,23)/p+1