(4-bromanyl-5-ethyl-thiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (4-bromanyl-5-ethyl-thiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-bromo-5-ethyl-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-bromo-5-ethyl-2-thiophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-bromo-5-ethylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-bromo-5-ethyl-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H20BrN2OS+ MolecularWeight: 332.2797

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CCC[NH+](CC2)C)Br

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CCC[NH+](CC2)C)Br

InChI

InChI=1S/C13H19BrN2OS/c1-3-11-10(14)9-12(18-11)13(17)16-6-4-5-15(2)7-8-16/h9H,3-8H2,1-2H3/p+1