(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Openeye Name: (1-isopropylpyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)methyl-phenethyl-[(1-propan-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: (1-isopropylpyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C22H36N4+2 MolecularWeight: 356.54804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

InChI

InChI=1S/C22H34N4/c1-19(2)26-18-22(15-23-26)17-25(14-11-20-7-5-4-6-8-20)16-21-9-12-24(3)13-10-21/h4-8,15,18-19,21H,9-14,16-17H2,1-3H3/p+2