1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-phenethylthiourea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea Formula: C23H32N3OS+ MolecularWeight: 398.58468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCCC2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCCC2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C23H31N3OS/c1-27-21-12-10-20(11-13-21)22(26-16-6-3-7-17-26)18-25-23(28)24-15-14-19-8-4-2-5-9-19/h2,4-5,8-13,22H,3,6-7,14-18H2,1H3,(H2,24,25,28)/p+1/t22-/m0/s1