1-[(E)-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylideneamino]thiourea Openeye Name: [(E)-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methyleneamino]thiourea CAS Name: [(E)-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]methylideneamino]thiourea IUPAC Name: [(E)-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methylideneamino]thiourea Traditional Name: [(E)-[2-(4-methylpiperazin-4-ium-1-yl)benzylidene]amino]thiourea Formula: C13H20N5S+ MolecularWeight: 278.3964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2C=NNC(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5,10H,6-9H2,1H3,(H3,14,16,19)/p+1/b15-10+