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

Systemtic Name: 1-[(4-tert-butyl-3-tetradecoxy-phenyl)methyl]-3-methyl-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-[(4-tert-butyl-3-tetradecoxy-phenyl)methyl]-3-methyl-1-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-[(4-tert-butyl-3-tetradecoxyphenyl)methyl]-3-methyl-1-[4-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-[(4-tert-butyl-3-tetradecoxyphenyl)methyl]-3-methyl-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(4-tert-butyl-3-myristyloxy-benzyl)-3-methyl-1-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C37H56BrN3O2S MolecularWeight: 686.82844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H55N3O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-25-42-35-27-32(20-23-34(35)37(2,3)4)29-40(36(41)38-5)33-21-18-31(19-22-33)28-39-24-26-43-30-39;/h18-24,26-27,30H,6-17,25,28-29H2,1-5H3;1H