N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrazol-1-yl-benzamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrazol-1-ylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrazol-1-yl-benzamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c27-22(19-7-9-21(10-8-19)26-14-4-13-23-26)24-20-11-15-25(16-12-20)17-18-5-2-1-3-6-18/h1-10,13-14,20H,11-12,15-17H2,(H,24,27)/p+1