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

Systemtic Name: 1-cyclohexyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-cyclohexyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-cyclohexyl-3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-cyclohexyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-cyclohexyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C21H34N3OS+ MolecularWeight: 376.57916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NC2CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NC2CCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3OS/c1-25-19-12-10-17(11-13-19)20(24-14-6-3-7-15-24)16-22-21(26)23-18-8-4-2-5-9-18/h10-13,18,20H,2-9,14-16H2,1H3,(H2,22,23,26)/p+1/t20-/m0/s1