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

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-thiophen-2-yl-methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2-thienyl)methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-thiophen-2-ylmethanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-thiophen-2-ylmethanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2-thienyl)methanone Formula: C11H17N2OS+ MolecularWeight: 225.33048

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC=CS2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC=CS2

InChI

InChI=1S/C11H16N2OS/c1-12-5-3-6-13(8-7-12)11(14)10-4-2-9-15-10/h2,4,9H,3,5-8H2,1H3/p+1