6-(2-methyl-1,3-thiazol-4-yl)-2-[4-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(2-methyl-1,3-thiazol-4-yl)-2-[4-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2-methylthiazol-4-yl)-2-[4-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2-methyl-4-thiazolyl)-2-[4-(1-piperazin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2-methyl-1,3-thiazol-4-yl)-2-[4-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2-methylthiazol-4-yl)-2-[4-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)CN4CC[NH2+]CC4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)CN4CC[NH2+]CC4

InChI

InChI=1S/C19H21N5OS/c1-13-21-17(12-26-13)16-10-18(25)23-19(22-16)15-4-2-14(3-5-15)11-24-8-6-20-7-9-24/h2-5,10,12,20H,6-9,11H2,1H3,(H,22,23,25)/p+1