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

Systemtic Name: 3-nonyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine Openeye Name: 3-nonyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine CAS Name: 3-nonyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine IUPAC Name: 3-nonyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine Traditional Name: (3-nonyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-yl)amine Formula: C18H28N3S+ MolecularWeight: 318.50002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3S/c1-2-3-4-5-6-7-11-14-21-18(19)22-15-17(20-21)16-12-9-8-10-13-16/h8-10,12-13,19H,2-7,11,14-15H2,1H3/p+1