N-[3-[(3-methyl-1,3-thiazol-3-ium-2-yl)methyl]phenyl]-2-(4-tetradecoxyphenyl)ethanamide bromide

Systemtic Name: N-[3-[(3-methyl-1,3-thiazol-3-ium-2-yl)methyl]phenyl]-2-(4-tetradecoxyphenyl)ethanamide bromide Openeye Name: N-[3-[(3-methylthiazol-3-ium-2-yl)methyl]phenyl]-2-(4-tetradecoxyphenyl)acetamide bromide CAS Name: N-[3-[(3-methyl-2-thiazol-3-iumyl)methyl]phenyl]-2-(4-tetradecoxyphenyl)acetamide bromide IUPAC Name: N-[3-[(3-methyl-1,3-thiazol-3-ium-2-yl)methyl]phenyl]-2-(4-tetradecoxyphenyl)acetamide bromide Traditional Name: N-[3-[(3-methylthiazol-3-ium-2-yl)methyl]phenyl]-2-(4-myristyloxyphenyl)acetamide bromide Formula: C33H47BrN2O2S MolecularWeight: 615.70748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)CC3=[N+](C=CS3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)CC3=[N+](C=CS3)C.[Br-]

InChI

InChI=1S/C33H46N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-37-31-20-18-28(19-21-31)26-32(36)34-30-17-15-16-29(25-30)27-33-35(2)22-24-38-33;/h15-22,24-25H,3-14,23,26-27H2,1-2H3;1H