[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C17H27N5+2 MolecularWeight: 301.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C[NH3+])C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C[NH3+])C

InChI

InChI=1S/C17H25N5/c1-14-16(12-20(2)19-14)13-21-7-9-22(10-8-21)17-5-3-15(11-18)4-6-17/h3-6,12H,7-11,13,18H2,1-2H3/p+2