2-chloranyl-4-tetradecoxy-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide

Systemtic Name: 2-chloranyl-4-tetradecoxy-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Openeye Name: 2-chloro-4-tetradecoxy-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide CAS Name: 2-chloro-4-tetradecoxy-N-[3-(3-thiazol-3-iumylmethyl)phenyl]benzamide bromide IUPAC Name: 2-chloro-4-tetradecoxy-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Traditional Name: 2-chloro-4-myristyloxy-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Formula: C31H42BrClN2O2S MolecularWeight: 622.09938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3)Cl.[Br-]

InChI

InChI=1S/C31H41ClN2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-36-28-17-18-29(30(32)23-28)31(35)33-27-16-14-15-26(22-27)24-34-19-21-37-25-34;/h14-19,21-23,25H,2-13,20,24H2,1H3;1H