1-(4-methylpiperazin-4-ium-1-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-benzyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C13H20N4S/c1-16-7-9-17(10-8-16)15-13(18)14-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,14,15,18)/p+1