N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]propanamide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]propanamide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]propanamide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]propanamide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]propanamide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]propionamide Formula: C39H59N2O2S+ MolecularWeight: 619.96296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)CC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)CC)C(C)(C)C

InChI

InChI=1S/C39H59N2O2S/c1-7-9-10-11-12-13-14-15-16-17-18-19-25-43-37-24-23-34(27-36(37)39(4,5)6)30-41(38(42)8-2)35-22-20-21-33(26-35)29-40-28-32(3)44-31-40/h20-24,26-28,31H,7-19,25,29-30H2,1-6H3/q+1