2-chloranyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H26ClN4O+ MolecularWeight: 421.94244

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O/c25-22-11-5-4-10-21(22)24(30)27-23-12-15-26-29(23)20-13-17-28(18-14-20)16-6-9-19-7-2-1-3-8-19/h1-12,15,20H,13-14,16-18H2,(H,27,30)/p+1/b9-6+