3-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)propan-1-one chloride

Systemtic Name: 3-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)propan-1-one chloride Openeye Name: 3-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)propan-1-one chloride CAS Name: 3-(4-methyl-1-piperazinyl)-1-(4-nitrophenyl)-1-propanone chloride IUPAC Name: 3-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)propan-1-one chloride Traditional Name: 3-(4-methylpiperazino)-1-(4-nitrophenyl)propan-1-one chloride Formula: C14H19ClN3O3- MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN1CCN(CC1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H19N3O3.ClH/c1-15-8-10-16(11-9-15)7-6-14(18)12-2-4-13(5-3-12)17(19)20;/h2-5H,6-11H2,1H3;1H/p-1