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

Systemtic Name: N-(4-chloranyl-2-dodecoxy-phenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(4-chloro-2-dodecoxy-phenyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(4-chloro-2-dodecoxyphenyl)-3-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(4-chloro-2-dodecoxyphenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(4-chloro-2-lauryloxy-phenyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C30H40BrClN2O2S MolecularWeight: 608.0728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39ClN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-18-35-29-20-27(31)16-17-28(29)32-30(34)26-15-13-14-25(19-26)22-33-21-24(2)36-23-33;/h13-17,19-21,23H,3-12,18,22H2,1-2H3;1H