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

Systemtic Name: 2-methoxy-N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methoxy-N-[2-[1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methoxy-N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methoxy-N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methoxy-N-[2-[1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C26H30N4O3/c1-32-23-11-5-3-8-20(23)9-7-17-29-18-14-21(15-19-29)30-25(13-16-27-30)28-26(31)22-10-4-6-12-24(22)33-2/h3-13,16,21H,14-15,17-19H2,1-2H3,(H,28,31)/p+1/b9-7+