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

Systemtic Name: N-[2-(4-chloranyl-3-tetradecoxy-phenyl)ethyl]-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: N-[2-(4-chloro-3-tetradecoxy-phenyl)ethyl]-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: N-[2-(4-chloro-3-tetradecoxyphenyl)ethyl]-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: N-[2-(4-chloro-3-tetradecoxyphenyl)ethyl]-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: N-[2-(4-chloro-3-myristyloxy-phenyl)ethyl]-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C35H50BrClN2O2S MolecularWeight: 678.2057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)CCN(C2=CC=C(C=C2)C[N+]3=CSC(=C3)C)C(=O)C)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)CCN(C2=CC=C(C=C2)C[N+]3=CSC(=C3)C)C(=O)C)Cl.[Br-]

InChI

InChI=1S/C35H50ClN2O2S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-24-40-35-25-31(18-21-34(35)36)22-23-38(30(3)39)33-19-16-32(17-20-33)27-37-26-29(2)41-28-37;/h16-21,25-26,28H,4-15,22-24,27H2,1-3H3;1H/q+1;/p-1