1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-(3-thienylmethyl)-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-(3-thiophenylmethyl)-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(3-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=CSC=C2

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CSC=C2

InChI

InChI=1S/C11H18N2S/c1-12-4-2-5-13(7-6-12)9-11-3-8-14-10-11/h3,8,10H,2,4-7,9H2,1H3/p+2