N-[2-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(5-cyclohexyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(5-cyclohexyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[(5-cyclohexyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C25H32N5OS+ MolecularWeight: 450.61948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(S2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(S2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H31N5OS/c31-25(20-7-4-13-26-17-20)28-24-10-14-27-30(24)21-11-15-29(16-12-21)18-22-8-9-23(32-22)19-5-2-1-3-6-19/h4,7-10,13-14,17,19,21H,1-3,5-6,11-12,15-16,18H2,(H,28,31)/p+1