N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(4-propan-2-yl-2-thiazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-16(2)19-15-29-21(24-19)14-26-12-9-18(10-13-26)27-20(8-11-23-27)25-22(28)17-6-4-3-5-7-17/h3-8,11,15-16,18H,9-10,12-14H2,1-2H3,(H,25,28)/p+1