1-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazet-2-ylidene]amino]propan-2-one

Systemtic Name: 1-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazet-2-ylidene]amino]propan-2-one Openeye Name: 1-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazet-2-ylidene]amino]propan-2-one CAS Name: 1-[[4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1,3-thiazet-2-ylidene]amino]-2-propanone IUPAC Name: 1-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazet-2-ylidene]amino]propan-2-one Traditional Name: 1-[[4-(4-pyridin-1-ium-2-ylpiperazino)-1,3-thiazet-2-ylidene]amino]acetone Formula: C14H18N5OS+ MolecularWeight: 304.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN=C1N=C(S1)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)CN=C1N=C(S1)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H17N5OS/c1-11(20)10-16-13-17-14(21-13)19-8-6-18(7-9-19)12-4-2-3-5-15-12/h2-5H,6-10H2,1H3/p+1