N-(3-methoxy-2-tetradecoxy-phenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide

Systemtic Name: N-(3-methoxy-2-tetradecoxy-phenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(3-methoxy-2-tetradecoxy-phenyl)-2-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(3-methoxy-2-tetradecoxyphenyl)-2-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(3-methoxy-2-tetradecoxyphenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-methoxy-2-myristyloxy-phenyl)-2-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C33H47BrN2O3S MolecularWeight: 631.70688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)NC(=O)C2=CC=CC=C2C[N+]3=CSC(=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)NC(=O)C2=CC=CC=C2C[N+]3=CSC(=C3)C.[Br-]

InChI

InChI=1S/C33H46N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-38-32-30(21-18-22-31(32)37-3)34-33(36)29-20-16-15-19-28(29)25-35-24-27(2)39-26-35;/h15-16,18-22,24,26H,4-14,17,23,25H2,1-3H3;1H