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

Systemtic Name: N-(4-chloranyl-3-dodecoxy-phenyl)-4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(4-chloro-3-dodecoxy-phenyl)-4-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(4-chloro-3-dodecoxyphenyl)-4-[(4-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(4-chloro-3-dodecoxyphenyl)-4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(4-chloro-3-lauryloxy-phenyl)-4-[(4-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)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3C)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3C)Cl.[Br-]

InChI

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