(4-methyl-1,4-diazepan-4-ium-1-yl)-(5-methylthiophen-3-yl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(5-methylthiophen-3-yl)methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(5-methyl-3-thienyl)methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(5-methyl-3-thiophenyl)methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(5-methylthiophen-3-yl)methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(5-methyl-3-thienyl)methanone Formula: C12H19N2OS+ MolecularWeight: 239.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CS1)C(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C12H18N2OS/c1-10-8-11(9-16-10)12(15)14-5-3-4-13(2)6-7-14/h8-9H,3-7H2,1-2H3/p+1