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

Systemtic Name: 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenethyl-thiourea Openeye Name: 1-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-phenethyl-thiourea CAS Name: 1-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-phenethylthiourea Traditional Name: 1-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-phenethyl-thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-18-7-9-20(10-8-18)21(17-25-13-15-26-16-14-25)24-22(27)23-12-11-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H2,23,24,27)/p+1/t21-/m0/s1