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

Systemtic Name: N-[2-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(5-cyclohexyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[(5-cyclohexyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[(5-cyclohexyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(S3)C4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(S3)C4CCCCC4

InChI

InChI=1S/C21H30N4OS/c1-16(26)23-21-9-12-22-25(21)18-10-13-24(14-11-18)15-19-7-8-20(27-19)17-5-3-2-4-6-17/h7-9,12,17-18H,2-6,10-11,13-15H2,1H3,(H,23,26)/p+1