(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-(4-isopropyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(3-ethoxy-4-methoxy-benzyl)-3-(4-isopropyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C21H32N3O2+ MolecularWeight: 358.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C3=C(C=NN3)C(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)C(C)C)OC

InChI

InChI=1S/C21H31N3O2/c1-5-26-20-11-16(8-9-19(20)25-4)13-24-10-6-7-17(14-24)21-18(15(2)3)12-22-23-21/h8-9,11-12,15,17H,5-7,10,13-14H2,1-4H3,(H,22,23)/p+1/t17-/m0/s1