1-[(E)-[4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)phenyl]methylideneamino]thiourea Openeye Name: [(E)-[4-(4-dodecyl-4-methyl-piperazin-4-ium-1-yl)phenyl]methyleneamino]thiourea CAS Name: [(E)-[4-(4-dodecyl-4-methyl-1-piperazin-4-iumyl)phenyl]methylideneamino]thiourea IUPAC Name: [(E)-[4-(4-dodecyl-4-methylpiperazin-4-ium-1-yl)phenyl]methylideneamino]thiourea Traditional Name: [(E)-[4-(4-lauryl-4-methyl-piperazin-4-ium-1-yl)benzylidene]amino]thiourea Formula: C25H44N5S+ MolecularWeight: 446.71536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N5S/c1-3-4-5-6-7-8-9-10-11-12-19-30(2)20-17-29(18-21-30)24-15-13-23(14-16-24)22-27-28-25(26)31/h13-16,22H,3-12,17-21H2,1-2H3,(H2-,26,28,31)/p+1/b27-22+