(5-chloranylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (5-chloranylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-chloro-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-chloro-2-thiophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-chlorothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-chloro-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C11H16ClN2OS+ MolecularWeight: 259.77554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C11H15ClN2OS/c1-13-5-2-6-14(8-7-13)11(15)9-3-4-10(12)16-9/h3-4H,2,5-8H2,1H3/p+1