2-(3-dodecoxy-4-methoxy-phenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide

Systemtic Name: 2-(3-dodecoxy-4-methoxy-phenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-dodecoxy-4-methoxy-phenyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-dodecoxy-4-methoxyphenyl)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-dodecoxy-4-methoxyphenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-lauryloxy-4-methoxy-phenyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C32H45BrN2O3S MolecularWeight: 617.6803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)OC.[Br-]

InChI

InChI=1S/C32H44N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-19-37-31-21-27(17-18-30(31)36-3)22-32(35)33-29-16-14-15-28(20-29)24-34-23-26(2)38-25-34;/h14-18,20-21,23,25H,4-13,19,22,24H2,1-3H3;1H