1-methyl-4-(thiophen-2-ylmethyl)-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-(thiophen-2-ylmethyl)-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-(2-thienylmethyl)-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-(thiophen-2-ylmethyl)-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-(thiophen-2-ylmethyl)-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(2-thenyl)-1,4-diazepane-1,4-diium Formula: C11H20N2S+2 MolecularWeight: 212.3549

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC=CS2

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C11H18N2S/c1-12-5-3-6-13(8-7-12)10-11-4-2-9-14-11/h2,4,9H,3,5-8,10H2,1H3/p+2