1-phenethyl-3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]thiourea

Systemtic Name: 1-phenethyl-3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]thiourea Openeye Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-phenethyl-thiourea CAS Name: 1-phenethyl-3-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]thiourea IUPAC Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-phenethylthiourea Traditional Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-phenethyl-thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c26-21(22-12-11-18-7-3-1-4-8-18)23-15-20-17-24(13-14-25-20)16-19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H2,22,23,26)/p+1/t20-/m0/s1