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

Systemtic Name: 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(o-tolylmethyl)thiourea CAS Name: 1-[(2-methylphenyl)methyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-methylbenzyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C16H26N3OS+ MolecularWeight: 308.46214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=CC=C1CNC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C16H25N3OS/c1-14-5-2-3-6-15(14)13-18-16(21)17-7-4-8-19-9-11-20-12-10-19/h2-3,5-6H,4,7-13H2,1H3,(H2,17,18,21)/p+1