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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

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