1-[[1-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]piperidin-1-ium-4-yl]carbonylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[1-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]piperidin-1-ium-4-yl]carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[[1-[(2R)-3-benzyloxy-2-hydroxy-propyl]piperidin-1-ium-4-carbonyl]amino]-3-phenyl-thiourea CAS Name: 1-[[[1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-1-ium-4-carbonyl]amino]-3-phenylthiourea Traditional Name: 1-[[1-[(2R)-3-benzoxy-2-hydroxy-propyl]piperidin-1-ium-4-carbonyl]amino]-3-phenyl-thiourea Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NNC(=S)NC2=CC=CC=C2)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NNC(=S)NC2=CC=CC=C2)C[C@H](COCC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N4O3S/c28-21(17-30-16-18-7-3-1-4-8-18)15-27-13-11-19(12-14-27)22(29)25-26-23(31)24-20-9-5-2-6-10-20/h1-10,19,21,28H,11-17H2,(H,25,29)(H2,24,26,31)/p+1/t21-/m1/s1