(2-methoxy-4-methylsulfanyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21N3O2S/c1-23-16-13-14(24-2)6-7-15(16)18(22)21-11-9-20(10-12-21)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3/p+1