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

Systemtic Name: (5-ethylthiophen-3-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-ethyl-3-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-ethyl-3-thiophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-ethylthiophen-3-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-ethyl-3-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CS1)C(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CCC1=CC(=CS1)C(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C13H20N2OS/c1-3-12-9-11(10-17-12)13(16)15-6-4-5-14(2)7-8-15/h9-10H,3-8H2,1-2H3/p+1