1-[1-(5-methylthiophen-2-yl)carbonylpiperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(5-methylthiophen-2-yl)carbonylpiperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(5-methylthiophene-2-carbonyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(5-methyl-2-thiophenyl)-oxomethyl]-4-piperidinyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(5-methylthiophene-2-carbonyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H30N4O2S/c1-17-5-6-21(30-17)23(29)27-14-9-20(10-15-27)26-12-7-18(8-13-26)22(28)25-16-19-4-2-3-11-24-19/h2-6,11,18,20H,7-10,12-16H2,1H3,(H,25,28)/p+1