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

Systemtic Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: N-(3-lauryloxybenzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C31H43N2O2S+ MolecularWeight: 507.75032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N2O2S/c1-3-4-5-6-7-8-9-10-11-12-21-35-31-15-13-14-29(23-31)25-33(27(2)34)30-18-16-28(17-19-30)24-32-20-22-36-26-32/h13-20,22-23,26H,3-12,21,24-25H2,1-2H3/q+1