N-(3-ethanoyl-2-hexadecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide

Systemtic Name: N-(3-ethanoyl-2-hexadecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(3-acetyl-2-hexadecoxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(3-acetyl-2-hexadecoxyphenyl)-4-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(3-acetyl-2-hexadecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(3-acetyl-2-cetyloxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C35H49BrN2O3S MolecularWeight: 657.74416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C35H48N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-40-34-32(29(2)38)18-17-19-33(34)36-35(39)31-22-20-30(21-23-31)27-37-24-26-41-28-37;/h17-24,26,28H,3-16,25,27H2,1-2H3;1H