(4-methylsulfanylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(methylthio)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H21N3OS/c1-23-17-4-2-16(3-5-17)18(22)21-12-10-20(11-13-21)14-15-6-8-19-9-7-15/h2-9H,10-14H2,1H3/p+1