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

Systemtic Name: 4-dodecoxy-3-ethanoyl-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Openeye Name: 3-acetyl-4-dodecoxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide CAS Name: 3-acetyl-4-dodecoxy-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]benzamide bromide IUPAC Name: 3-acetyl-4-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Traditional Name: 3-acetyl-4-lauryloxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Formula: C32H43BrN2O3S MolecularWeight: 615.66442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-19-37-31-18-17-28(21-30(31)26(3)35)32(36)33-29-16-14-15-27(20-29)23-34-22-25(2)38-24-34;/h14-18,20-22,24H,4-13,19,23H2,1-3H3;1H