1-ethyl-4-[(3-methylthiophen-2-yl)methyl]piperazin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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