2-methoxy-N-[2-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-methoxy-N-[2-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methoxy-N-[2-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methoxy-N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methoxy-N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methoxy-N-[2-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C26H30N4O2/c1-20(18-21-8-4-3-5-9-21)19-29-16-13-22(14-17-29)30-25(12-15-27-30)28-26(31)23-10-6-7-11-24(23)32-2/h3-12,15,18,22H,13-14,16-17,19H2,1-2H3,(H,28,31)/p+1/b20-18+