4-ethyl-1-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(3-methyl-2-thiophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-ium-5-one Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=C(C=CS2)C

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=C(C=CS2)C

InChI

InChI=1S/C13H20N2OS/c1-3-15-8-7-14(6-4-13(15)16)10-12-11(2)5-9-17-12/h5,9H,3-4,6-8,10H2,1-2H3/p+1