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

Systemtic Name: 3-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Openeye Name: 3-dodecoxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide CAS Name: 3-dodecoxy-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]benzamide bromide IUPAC Name: 3-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Traditional Name: 3-lauryloxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Formula: C30H41BrN2O2S MolecularWeight: 573.62774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-19-34-29-18-14-16-27(21-29)30(33)31-28-17-13-15-26(20-28)23-32-22-25(2)35-24-32;/h13-18,20-22,24H,3-12,19,23H2,1-2H3;1H