(5-chloranyl-3,6-dimethyl-1-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-chloranyl-3,6-dimethyl-1-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-chloro-3,6-dimethyl-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (5-chloro-3,6-dimethyl-2-benzofuranyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chloro-3,6-dimethyl-1-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-chloro-3,6-dimethyl-benzofuran-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H20ClN2O2+ MolecularWeight: 307.7952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)N3CC[NH+](CC3)C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)N3CC[NH+](CC3)C)C)Cl

InChI

InChI=1S/C16H19ClN2O2/c1-10-8-14-12(9-13(10)17)11(2)15(21-14)16(20)19-6-4-18(3)5-7-19/h8-9H,4-7H2,1-3H3/p+1