(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-chloro-4-fluoro-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-chloro-4-fluoro-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C15H17ClFN2OS+ MolecularWeight: 327.824683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

InChI

InChI=1S/C15H16ClFN2OS/c1-18-6-3-7-19(9-8-18)15(20)14-13(16)12-10(17)4-2-5-11(12)21-14/h2,4-5H,3,6-9H2,1H3/p+1