1-methyl-4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(5-methyl-2-thienyl)methyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(5-methyl-2-thiophenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[(5-methyl-2-thienyl)methyl]-1,4-diazepane-1,4-diium Formula: C12H22N2S+2 MolecularWeight: 226.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC[NH+](CC2)C

InChI

InChI=1S/C12H20N2S/c1-11-4-5-12(15-11)10-14-7-3-6-13(2)8-9-14/h4-5H,3,6-10H2,1-2H3/p+2