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

Systemtic Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-26-19-11-9-17(10-12-19)21(25-13-4-3-5-14-25)16-23-22(28)24-18-7-6-8-20(15-18)27-2/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H2,23,24,28)/p+1/t21-/m0/s1