N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)propanamide bromide

Systemtic Name: N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)propanamide bromide Openeye Name: N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)propanamide bromide CAS Name: N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-3-(4-tetradecoxyphenyl)propanamide bromide IUPAC Name: N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)propanamide bromide Traditional Name: N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-(4-myristyloxyphenyl)propionamide bromide Formula: C34H49BrN2O2S MolecularWeight: 629.73406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

InChI

InChI=1S/C34H48N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-38-33-21-18-30(19-22-33)20-23-34(37)35-32-17-15-16-31(25-32)27-36-26-29(2)39-28-36;/h15-19,21-22,25-26,28H,3-14,20,23-24,27H2,1-2H3;1H