1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-morpholin-4-ium-4-ylethyl)-1-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-benzyl-3-(2-morpholin-4-ium-4-ylethyl)-1-(p-tolyl)thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3OS/c1-18-7-9-20(10-8-18)24(17-19-5-3-2-4-6-19)21(26)22-11-12-23-13-15-25-16-14-23/h2-10H,11-17H2,1H3,(H,22,26)/p+1