1-[(2,3-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thiourea

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thiourea Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thiourea CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-phenylthiourea IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenylthiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-1-o-veratryl-3-phenyl-thiourea Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CCC[NH+]2CCOCC2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CCC[NH+]2CCOCC2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-27-21-11-6-8-19(22(21)28-2)18-26(13-7-12-25-14-16-29-17-15-25)23(30)24-20-9-4-3-5-10-20/h3-6,8-11H,7,12-18H2,1-2H3,(H,24,30)/p+1