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

Systemtic Name: N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-16-7-8-19(27-16)15-24-13-10-18(11-14-24)25-20(9-12-22-25)23-21(26)17-5-3-2-4-6-17/h2-9,12,18H,10-11,13-15H2,1H3,(H,23,26)/p+1