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

Systemtic Name: 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Openeye Name: 1-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea Traditional Name: 1-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(o-tolyl)thiourea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-16-7-5-6-10-18(16)21-20(25)22-19(17-8-3-2-4-9-17)15-23-11-13-24-14-12-23/h2-10,19H,11-15H2,1H3,(H2,21,22,25)/p+1/t19-/m1/s1