2-(4-chloranyl-3-hexadecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(4-chloranyl-3-hexadecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-chloro-3-hexadecoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-chloro-3-hexadecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-chloro-3-hexadecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-cetyloxy-4-chloro-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C34H48BrClN2O3S MolecularWeight: 680.17852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)Cl.[Br-]

InChI

InChI=1S/C34H47ClN2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-39-33-25-31(20-21-32(33)35)40-27-34(38)36-30-18-16-29(17-19-30)26-37-22-24-41-28-37;/h16-22,24-25,28H,2-15,23,26-27H2,1H3;1H