N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-4-pyrazol-1-yl-benzamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H26N4O/c28-23(21-9-11-22(12-10-21)27-16-4-13-25-27)24-17-19-5-7-20(8-6-19)18-26-14-2-1-3-15-26/h4-13,16H,1-3,14-15,17-18H2,(H,24,28)/p+1