4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C17H26N5+ MolecularWeight: 300.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5/c1-3-22-14(2)15(12-19-22)13-20-8-10-21(11-9-20)17-6-4-16(18)5-7-17/h4-7,12H,3,8-11,13,18H2,1-2H3/p+1