[2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+])C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+])C

InChI

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