1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-methoxyphenyl)-3-(2-morpholin-4-ium-4-ylethyl)-1-salicyl-thiourea Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC2=CC=CC=C2O)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC=C1N(CC2=CC=CC=C2O)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O3S/c1-26-20-9-5-3-7-18(20)24(16-17-6-2-4-8-19(17)25)21(28)22-10-11-23-12-14-27-15-13-23/h2-9,25H,10-16H2,1H3,(H,22,28)/p+1