1-[(3,4-dimethoxyphenyl)methyl]-4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[4-(2-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[4-(2-naphthalenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 4-[4-(2-naphthyl)-1H-pyrazol-5-yl]-1-veratryl-piperidin-1-ium Formula: C27H30N3O2+ MolecularWeight: 428.546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC5=CC=CC=C5C=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC5=CC=CC=C5C=C4)OC

InChI

InChI=1S/C27H29N3O2/c1-31-25-10-7-19(15-26(25)32-2)18-30-13-11-21(12-14-30)27-24(17-28-29-27)23-9-8-20-5-3-4-6-22(20)16-23/h3-10,15-17,21H,11-14,18H2,1-2H3,(H,28,29)/p+1