N-[2-(4-dodecoxyphenyl)ethyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide

Systemtic Name: N-[2-(4-dodecoxyphenyl)ethyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: N-[2-(4-dodecoxyphenyl)ethyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: N-[2-(4-dodecoxyphenyl)ethyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: N-[2-(4-dodecoxyphenyl)ethyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: N-[2-(4-lauryloxyphenyl)ethyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C32H45N2O2S+ MolecularWeight: 521.7769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CCN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CCN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C

InChI

InChI=1S/C32H45N2O2S/c1-3-4-5-6-7-8-9-10-11-12-24-36-32-19-15-29(16-20-32)21-22-34(28(2)35)31-17-13-30(14-18-31)26-33-23-25-37-27-33/h13-20,23,25,27H,3-12,21-22,24,26H2,1-2H3/q+1