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

Systemtic Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-3-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-methoxy-4-myristyloxy-benzyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C34H49BrN2O3S MolecularWeight: 645.73346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-39-32-20-19-29(23-33(32)38-3)24-35-34(37)31-18-16-17-30(22-31)26-36-25-28(2)40-27-36;/h16-20,22-23,25,27H,4-15,21,24,26H2,1-3H3;1H