6-chloranyl-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride

Systemtic Name: 6-chloranyl-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride Openeye Name: 6-chloro-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride CAS Name: 6-chloro-2-methyl-4-[3-(4-methyl-1-piperazin-1-iumyl)propyl]-1,4-benzoxazin-3-one chloride IUPAC Name: 6-chloro-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride Traditional Name: 6-chloro-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride Formula: C17H25Cl2N3O2 MolecularWeight: 374.3053

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC[NH+]3CCN(CC3)C.[Cl-]

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC[NH+]3CCN(CC3)C.[Cl-]

InChI

InChI=1S/C17H24ClN3O2.ClH/c1-13-17(22)21(15-12-14(18)4-5-16(15)23-13)7-3-6-20-10-8-19(2)9-11-20;/h4-5,12-13H,3,6-11H2,1-2H3;1H