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

Systemtic Name: 2-methoxy-N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methoxy-N-[2-[1-(2-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methoxy-N-[2-[1-(2-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methoxy-N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methoxy-N-[2-[1-(2-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H27N5O2/c1-33-24-9-5-3-7-22(24)26(32)29-25-12-15-27-31(25)21-13-16-30(17-14-21)18-20-11-10-19-6-2-4-8-23(19)28-20/h2-12,15,21H,13-14,16-18H2,1H3,(H,29,32)/p+1