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

Systemtic Name: 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-salicyl-thiourea Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-27-21-10-5-3-8-19(21)25(17-18-7-2-4-9-20(18)26)22(29)23-11-6-12-24-13-15-28-16-14-24/h2-5,7-10,26H,6,11-17H2,1H3,(H,23,29)/p+1