2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-methyl-5-(piperidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-methyl-5-(piperidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methyl-5-(piperidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2,6-dichlorophenyl)methylthio]-6-methyl-5-(1-piperidin-1-iumylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methyl-5-(piperidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2,6-dichlorobenzyl)thio]-6-methyl-5-(piperidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one Formula: C18H22Cl2N3OS+ MolecularWeight: 399.35778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC=C2Cl)Cl)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC=C2Cl)Cl)C[NH+]3CCCCC3

InChI

InChI=1S/C18H21Cl2N3OS/c1-12-13(10-23-8-3-2-4-9-23)17(24)22-18(21-12)25-11-14-15(19)6-5-7-16(14)20/h5-7H,2-4,8-11H2,1H3,(H,21,22,24)/p+1