(3S)-1-[(2-prop-2-enoxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-prop-2-enoxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-allyloxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-prop-2-enoxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-prop-2-enoxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-allyloxybenzyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C25H28N4O2/c1-2-16-31-24-8-4-3-6-20(24)17-29-15-5-7-21(18-29)25(30)27-22-11-9-19(10-12-22)23-13-14-26-28-23/h2-4,6,8-14,21H,1,5,7,15-18H2,(H,26,28)(H,27,30)/p+1/t21-/m0/s1