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

Systemtic Name: 2-chloranyl-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O/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/h1-5,7-8,10-12,15,20H,6,9,13-14,16-18H2,(H,27,30)/p+1