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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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