1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-[(5-ethyl-2-thienyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-[(5-ethyl-2-thiophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-[(5-ethyl-2-thienyl)methyl]-1,4-diazepan-4-ium Formula: C12H21N2S+ MolecularWeight: 225.37354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CN2CCC[NH2+]CC2

Isomeric SMILES

CCC1=CC=C(S1)CN2CCC[NH2+]CC2

InChI

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