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

Systemtic Name: 1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(3-methyl-2-thiophenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-ium Formula: C12H21N2S+ MolecularWeight: 225.37354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCC[NH+](CC2)C

Isomeric SMILES

CC1=C(SC=C1)CN2CCC[NH+](CC2)C

InChI

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