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

Systemtic Name: 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3-methyl-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3-methyl-2-thiophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(3-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=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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