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

Systemtic Name: 2-chloranyl-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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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=C4Cl

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN4OS/c1-15-6-7-17(28-15)14-25-12-9-16(10-13-25)26-20(8-11-23-26)24-21(27)18-4-2-3-5-19(18)22/h2-8,11,16H,9-10,12-14H2,1H3,(H,24,27)/p+1