3-chloranyl-2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-chloranyl-2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-chloro-2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-chloro-2-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-chloro-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-chloro-2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C17H25ClN5+ MolecularWeight: 334.8669

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCN(CC2)C3=C(C=CC=C3Cl)N

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCN(CC2)C3=C(C=CC=C3Cl)N

InChI

InChI=1S/C17H24ClN5/c1-3-23-12-14(13(2)20-23)11-21-7-9-22(10-8-21)17-15(18)5-4-6-16(17)19/h4-6,12H,3,7-11,19H2,1-2H3/p+1