N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O3S/c1-13-8-15(20-25-13)11-21-4-6-22(7-5-21)18(26)19-10-14-2-3-16-17(9-14)24-12-23-16/h2-3,8-9H,4-7,10-12H2,1H3,(H,19,26)/p+1