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

Systemtic Name: 1-[(3-methylthiophen-2-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(3-methyl-2-thienyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(3-methyl-2-thiophenyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(3-methylthiophen-2-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(3-methyl-2-thienyl)methyl]-4-phenyl-piperazin-1-ium Formula: C16H21N2S+ MolecularWeight: 273.41634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N2S/c1-14-7-12-19-16(14)13-17-8-10-18(11-9-17)15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3/p+1