4-(piperidin-1-ium-1-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide

Systemtic Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide Openeye Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide CAS Name: 4-(1-piperidin-1-iumylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide IUPAC Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C22H24N4O/c27-22(24-20-6-4-5-19(15-20)21-11-12-23-25-21)18-9-7-17(8-10-18)16-26-13-2-1-3-14-26/h4-12,15H,1-3,13-14,16H2,(H,23,25)(H,24,27)/p+1