3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanethioamide

Systemtic Name: 3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanethioamide Openeye Name: 3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanethioamide CAS Name: 3-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]propanethioamide IUPAC Name: 3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanethioamide Traditional Name: 3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]thiopropionamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CCC(=S)N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CCC(=S)N

InChI

InChI=1S/C14H21N3OS/c1-18-13-4-2-3-12(11-13)17-9-7-16(8-10-17)6-5-14(15)19/h2-4,11H,5-10H2,1H3,(H2,15,19)/p+1