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

Systemtic Name: 1-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]thiourea CAS Name: 1-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]thiourea Traditional Name: 1-benzyl-3-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]thiourea Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H27N3OS/c1-14(2)12-20-8-9-21-16(13-20)11-19-17(22)18-10-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,18,19,22)/p+1/t16-/m0/s1