1-[1-(3-methylthiophen-2-yl)carbonylpiperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(3-methylthiophen-2-yl)carbonylpiperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(3-methylthiophene-2-carbonyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(3-methyl-2-thiophenyl)-oxomethyl]-4-piperidinyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(3-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=C(SC=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4

InChI

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