(5-methylthiophen-2-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: (5-methylthiophen-2-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: (5-methyl-2-thienyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: (5-methyl-2-thiophenyl)methyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: (5-methylthiophen-2-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: (5-methyl-2-thienyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C21H27N5S+2 MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(S1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25N5S/c1-17-7-8-19(27-17)16-22-15-18-5-4-10-24-21(18)26-13-11-25(12-14-26)20-6-2-3-9-23-20/h2-10,22H,11-16H2,1H3/p+2