N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(1-phenyl-4-pyrazolyl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c29-24(22-11-9-20(10-12-22)18-27-15-5-2-6-16-27)25-14-13-21-17-26-28(19-21)23-7-3-1-4-8-23/h1,3-4,7-12,17,19H,2,5-6,13-16,18H2,(H,25,29)/p+1