1-(3-methylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H27N3OS/c1-16-6-8-18(9-7-16)20(15-24-10-12-25-13-11-24)23-21(26)22-19-5-3-4-17(2)14-19/h3-9,14,20H,10-13,15H2,1-2H3,(H2,22,23,26)/p+1/t20-/m0/s1