10-methyl-4-oxidanylidene-10-pent-4-enyl-3-phenyl-6,7,8,9-tetrahydro-[1,3]thiazino[3,2-a]azepin-5-ium-2-olate

Systemtic Name: 10-methyl-4-oxidanylidene-10-pent-4-enyl-3-phenyl-6,7,8,9-tetrahydro-[1,3]thiazino[3,2-a]azepin-5-ium-2-olate Openeye Name: 10-methyl-4-oxo-10-pent-4-enyl-3-phenyl-6,7,8,9-tetrahydro-[1,3]thiazino[3,2-a]azepin-5-ium-2-olate CAS Name: 10-methyl-4-oxo-10-pent-4-enyl-3-phenyl-6,7,8,9-tetrahydro-[1,3]thiazino[3,2-a]azepin-5-ium-2-olate IUPAC Name: 10-methyl-4-oxo-10-pent-4-enyl-3-phenyl-6,7,8,9-tetrahydro-[1,3]thiazino[3,2-a]azepin-5-ium-2-olate Traditional Name: 4-keto-10-methyl-10-pent-4-enyl-3-phenyl-6,7,8,9-tetrahydro-[1,3]thiazin[3,2-a]azepin-5-ium-2-olate Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC[N+]2=C1SC(=C(C2=O)C3=CC=CC=C3)[O-])CCCC=C

Isomeric SMILES

CC1(CCCC[N+]2=C1SC(=C(C2=O)C3=CC=CC=C3)[O-])CCCC=C

InChI

InChI=1S/C21H25NO2S/c1-3-4-8-13-21(2)14-9-10-15-22-18(23)17(19(24)25-20(21)22)16-11-6-5-7-12-16/h3,5-7,11-12H,1,4,8-10,13-15H2,2H3