[2-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C18H29N5+2 MolecularWeight: 315.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+])C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+])C

InChI

InChI=1S/C18H27N5/c1-3-23-15(2)17(13-20-23)14-21-8-10-22(11-9-21)18-7-5-4-6-16(18)12-19/h4-7,13H,3,8-12,14,19H2,1-2H3/p+2