N-cyclopropyl-4-methoxy-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-cyclopropyl-4-methoxy-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-cyclopropyl-4-methoxy-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-cyclopropyl-4-methoxy-3-[[1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-cyclopropyl-4-methoxy-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-cyclopropyl-4-methoxy-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CC[NH+](CC3)CCCN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CC[NH+](CC3)CCCN4C=CC=N4

InChI

InChI=1S/C22H30N4O3/c1-28-20-7-4-17(22(27)24-18-5-6-18)16-21(20)29-19-8-14-25(15-9-19)11-3-13-26-12-2-10-23-26/h2,4,7,10,12,16,18-19H,3,5-6,8-9,11,13-15H2,1H3,(H,24,27)/p+1