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

Systemtic Name: 2-methoxy-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methoxy-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methoxy-N-[2-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methoxy-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methoxy-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-31-23-12-6-5-11-22(23)25(30)27-24-13-16-26-29(24)21-14-18-28(19-15-21)17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-13,16,21H,7,10,14-15,17-19H2,1H3,(H,27,30)/p+1