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

Systemtic Name: 3-tetradecoxy-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Openeye Name: 3-tetradecoxy-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide CAS Name: 3-tetradecoxy-N-[3-(3-thiazol-3-iumylmethyl)phenyl]benzamide bromide IUPAC Name: 3-tetradecoxy-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Traditional Name: 3-myristyloxy-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Formula: C31H43BrN2O2S MolecularWeight: 587.65432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-35-30-19-15-17-28(24-30)31(34)32-29-18-14-16-27(23-29)25-33-20-22-36-26-33;/h14-20,22-24,26H,2-13,21,25H2,1H3;1H