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

Systemtic Name: 1-(3-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-16-6-8-17(9-7-16)20(15-24-10-12-26-13-11-24)23-21(27)22-18-4-3-5-19(14-18)25-2/h3-9,14,20H,10-13,15H2,1-2H3,(H2,22,23,27)/p+1/t20-/m0/s1