1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(5-methyl-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(5-methyl-2-thiophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(5-methyl-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C15H21N3S+2 MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H19N3S/c1-13-5-6-14(19-13)12-17-8-10-18(11-9-17)15-4-2-3-7-16-15/h2-7H,8-12H2,1H3/p+2