[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C16H25N5+2 MolecularWeight: 287.4032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C16H23N5/c1-19-12-14(11-18-19)13-20-6-8-21(9-7-20)16-5-3-2-4-15(16)10-17/h2-5,11-12H,6-10,13,17H2,1H3/p+2