5-[(4-methylpiperazin-1-yl)methyl]-6-(2-methylpropyl)-1-oxidanidyl-3-phenyl-pyridazin-1-ium

Systemtic Name: 5-[(4-methylpiperazin-1-yl)methyl]-6-(2-methylpropyl)-1-oxidanidyl-3-phenyl-pyridazin-1-ium Openeye Name: 6-isobutyl-5-[(4-methylpiperazin-1-yl)methyl]-1-oxido-3-phenyl-pyridazin-1-ium CAS Name: 5-[(4-methyl-1-piperazinyl)methyl]-6-(2-methylpropyl)-1-oxido-3-phenylpyridazin-1-ium IUPAC Name: 5-[(4-methylpiperazin-1-yl)methyl]-6-(2-methylpropyl)-1-oxido-3-phenylpyridazin-1-ium Traditional Name: 6-isobutyl-5-[(4-methylpiperazino)methyl]-1-oxido-3-phenyl-pyridazin-1-ium Formula: C20H28N4O MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](N=C(C=C1CN2CCN(CC2)C)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)CC1=[N+](N=C(C=C1CN2CCN(CC2)C)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H28N4O/c1-16(2)13-20-18(15-23-11-9-22(3)10-12-23)14-19(21-24(20)25)17-7-5-4-6-8-17/h4-8,14,16H,9-13,15H2,1-3H3