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

Systemtic Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-(pyrazol-1-ylmethyl)benzamide Openeye Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-4-(pyrazol-1-ylmethyl)benzamide CAS Name: N-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]-4-(1-pyrazolylmethyl)benzamide IUPAC Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-(pyrazol-1-ylmethyl)benzamide Traditional Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-4-(pyrazol-1-ylmethyl)benzamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H25N5OS/c1-16-7-11-25(12-8-16)14-19-15-28-21(23-19)24-20(27)18-5-3-17(4-6-18)13-26-10-2-9-22-26/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H,23,24,27)/p+1