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

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: 2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: 2-(3-tert-butyl-4-cetyloxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C38H57N2O3S+ MolecularWeight: 621.93578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N2O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-42-36-24-23-34(28-35(36)38(2,3)4)43-30-37(41)39-33-21-19-32(20-22-33)29-40-25-27-44-31-40/h19-25,27-28,31H,5-18,26,29-30H2,1-4H3/p+1