2-chloranyl-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide

Systemtic Name: 2-chloranyl-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide Openeye Name: 2-chloro-N-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide CAS Name: 2-chloro-N-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-4-tetradecoxybenzamide bromide IUPAC Name: 2-chloro-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxybenzamide bromide Traditional Name: 2-chloro-N-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-4-myristyloxy-benzamide bromide Formula: C32H44BrClN2O2S MolecularWeight: 636.12596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)Cl.[Br-]

InChI

InChI=1S/C32H43ClN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-37-28-19-20-29(30(33)22-28)32(36)34-31-18-15-14-17-27(31)24-35-23-26(2)38-25-35;/h14-15,17-20,22-23,25H,3-13,16,21,24H2,1-2H3;1H