(4-bromanyl-3-methyl-phenyl)-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (4-bromo-3-methyl-phenyl)-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: (4-bromo-3-methylphenyl)-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: (4-bromo-3-methylphenyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: (4-bromo-3-methyl-phenyl)-[2-keto-2-(4-methylpiperazino)ethyl]ammonium Formula: C14H21BrN3O+ MolecularWeight: 327.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[NH2+]CC(=O)N2CCN(CC2)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)[NH2+]CC(=O)N2CCN(CC2)C)Br

InChI

InChI=1S/C14H20BrN3O/c1-11-9-12(3-4-13(11)15)16-10-14(19)18-7-5-17(2)6-8-18/h3-4,9,16H,5-8,10H2,1-2H3/p+1