3-methyl-1-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-1-[(3-tetradecoxyphenyl)methyl]urea

Systemtic Name: 3-methyl-1-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-1-[(3-tetradecoxyphenyl)methyl]urea Openeye Name: 3-methyl-1-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-1-[(3-tetradecoxyphenyl)methyl]urea CAS Name: 3-methyl-1-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-1-[(3-tetradecoxyphenyl)methyl]urea IUPAC Name: 3-methyl-1-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-1-[(3-tetradecoxyphenyl)methyl]urea Traditional Name: 3-methyl-1-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-1-(3-myristyloxybenzyl)urea Formula: C34H50N3O2S+ MolecularWeight: 564.8447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H49N3O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-23-39-33-18-16-17-31(24-33)27-37(34(38)35-3)32-21-19-30(20-22-32)26-36-25-29(2)40-28-36/h16-22,24-25,28H,4-15,23,26-27H2,1-3H3/p+1