5-heptan-3-yl-3-heptyl-4-methyl-2-[(Z)-(4-methyl-3H-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium

Systemtic Name: 5-heptan-3-yl-3-heptyl-4-methyl-2-[(Z)-(4-methyl-3H-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium Openeye Name: 5-(1-ethylpentyl)-3-heptyl-4-methyl-2-[(Z)-(4-methyl-3H-thiazol-2-ylidene)methyl]thiazol-3-ium CAS Name: 5-heptan-3-yl-3-heptyl-4-methyl-2-[(Z)-(4-methyl-3H-thiazol-2-ylidene)methyl]thiazol-3-ium IUPAC Name: 5-heptan-3-yl-3-heptyl-4-methyl-2-[(Z)-(4-methyl-3H-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium Traditional Name: 5-(1-ethylpentyl)-3-heptyl-4-methyl-2-[(Z)-(4-methyl-4-thiazolin-2-ylidene)methyl]thiazol-3-ium Formula: C23H39N2S2+ MolecularWeight: 407.69916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(SC(=C1C)C(CC)CCCC)C=C2NC(=CS2)C

Isomeric SMILES

CCCCCCC[N+]1=C(SC(=C1C)C(CC)CCCC)/C=C\2/NC(=CS2)C

InChI

InChI=1S/C23H38N2S2/c1-6-9-11-12-13-15-25-19(5)23(20(8-3)14-10-7-2)27-22(25)16-21-24-18(4)17-26-21/h16-17,20H,6-15H2,1-5H3/p+1