N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-2-18-31-23-11-7-6-10-21(23)19-28-16-13-22(14-17-28)29-24(12-15-26-29)27-25(30)20-8-4-3-5-9-20/h2-12,15,22H,1,13-14,16-19H2,(H,27,30)/p+1