2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-[(5-methyl-1-propyl-4-pyrazolyl)methyl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(5-methyl-1-propylpyrazol-4-yl)methyl]azanium Traditional Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]ammonium Formula: C24H40N4O+2 MolecularWeight: 400.6006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+](CCC2=CC=C(C=C2)OC)CC3CC[NH+](CC3)C)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+](CCC2=CC=C(C=C2)OC)CC3CC[NH+](CC3)C)C

InChI

InChI=1S/C24H38N4O/c1-5-13-28-20(2)23(17-25-28)19-27(18-22-10-14-26(3)15-11-22)16-12-21-6-8-24(29-4)9-7-21/h6-9,17,22H,5,10-16,18-19H2,1-4H3/p+2