(2-methoxy-4-methylsulfanyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C19H23N3O2S/c1-24-18-13-16(25-2)3-4-17(18)19(23)22-11-9-21(10-12-22)14-15-5-7-20-8-6-15/h3-8,13H,9-12,14H2,1-2H3/p+1