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

Systemtic Name: 3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Openeye Name: 3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea CAS Name: 3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[4-(3-thiazol-3-iumylmethyl)phenyl]urea IUPAC Name: 3-methyl-1-[(3-tetradecoxyphenyl)methyl]-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Traditional Name: 3-methyl-1-(3-myristyloxybenzyl)-1-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea Formula: C33H48N3O2S+ MolecularWeight: 550.81812

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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(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C33H47N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-38-32-17-15-16-30(25-32)27-36(33(37)34-2)31-20-18-29(19-21-31)26-35-22-24-39-28-35/h15-22,24-25,28H,3-14,23,26-27H2,1-2H3/p+1