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

Systemtic Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NC2=CC=C(C=C2)Cl)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NC2=CC=C(C=C2)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C21H26ClN3OS/c1-26-19-11-5-16(6-12-19)20(25-13-3-2-4-14-25)15-23-21(27)24-18-9-7-17(22)8-10-18/h5-12,20H,2-4,13-15H2,1H3,(H2,23,24,27)/p+1/t20-/m0/s1