1,4-diazepan-4-ium-1-yl-(3-methylthiophen-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3-methylthiophen-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3-methyl-2-thienyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3-methyl-2-thiophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3-methylthiophen-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3-methyl-2-thienyl)methanone Formula: C11H17N2OS+ MolecularWeight: 225.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C11H16N2OS/c1-9-3-8-15-10(9)11(14)13-6-2-4-12-5-7-13/h3,8,12H,2,4-7H2,1H3/p+1