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

Systemtic Name: N-[(4-tert-butyl-3-tetradecoxy-phenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Openeye Name: N-[(4-tert-butyl-3-tetradecoxy-phenyl)methyl]-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide CAS Name: N-[(4-tert-butyl-3-tetradecoxyphenyl)methyl]-N-[3-(3-thiazol-3-iumylmethyl)phenyl]propanamide bromide IUPAC Name: N-[(4-tert-butyl-3-tetradecoxyphenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Traditional Name: N-(4-tert-butyl-3-myristyloxy-benzyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]propionamide bromide Formula: C38H57BrN2O2S MolecularWeight: 685.84038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H57N2O2S.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-18-25-42-36-28-33(22-23-35(36)38(3,4)5)30-40(37(41)7-2)34-21-19-20-32(27-34)29-39-24-26-43-31-39;/h19-24,26-28,31H,6-18,25,29-30H2,1-5H3;1H/q+1;/p-1