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

Systemtic Name: 3-methoxy-2-tetradecoxy-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Openeye Name: 3-methoxy-2-tetradecoxy-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide CAS Name: 3-methoxy-2-tetradecoxy-N-[2-(3-thiazol-3-iumylmethyl)phenyl]benzamide bromide IUPAC Name: 3-methoxy-2-tetradecoxy-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Traditional Name: 3-methoxy-2-myristyloxy-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Formula: C32H45BrN2O3S MolecularWeight: 617.6803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)C(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)C(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C32H44N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-37-31-28(19-17-21-30(31)36-2)32(35)33-29-20-15-14-18-27(29)25-34-22-24-38-26-34;/h14-15,17-22,24,26H,3-13,16,23,25H2,1-2H3;1H