3-dodecyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine

Systemtic Name: 3-dodecyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine Openeye Name: 3-dodecyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine CAS Name: 3-dodecyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine IUPAC Name: 3-dodecyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine Traditional Name: (3-lauryl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-yl)amine Formula: C21H34N3S+ MolecularWeight: 360.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=C(SCC(=N1)C2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCCCCC[N+]1=C(SCC(=N1)C2=CC=CC=C2)N

InChI

InChI=1S/C21H33N3S/c1-2-3-4-5-6-7-8-9-10-14-17-24-21(22)25-18-20(23-24)19-15-12-11-13-16-19/h11-13,15-16,22H,2-10,14,17-18H2,1H3/p+1