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

Systemtic Name: 2-chloranyl-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]-2-chloro-benzamide CAS Name: 2-chloro-N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-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]-2-chloro-benzamide Formula: C25H28ClN4O2+ MolecularWeight: 451.96842

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=C4Cl

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H27ClN4O2/c1-2-17-32-23-10-6-3-7-19(23)18-29-15-12-20(13-16-29)30-24(11-14-27-30)28-25(31)21-8-4-5-9-22(21)26/h2-11,14,20H,1,12-13,15-18H2,(H,28,31)/p+1