1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O2S/c1-25-19-9-7-18(8-10-19)20(17-5-3-2-4-6-17)23-21(27)22-11-12-24-13-15-26-16-14-24/h2-10,20H,11-16H2,1H3,(H2,22,23,27)/p+1/t20-/m0/s1