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

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-[3-(methylthio)propyl]thiourea Formula: C19H32N3OS2+ MolecularWeight: 382.60688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCCCSC)[NH+]2CCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCCCSC)[NH+]2CCCCC2

InChI

InChI=1S/C19H31N3OS2/c1-23-17-9-7-16(8-10-17)18(22-12-4-3-5-13-22)15-21-19(24)20-11-6-14-25-2/h7-10,18H,3-6,11-15H2,1-2H3,(H2,20,21,24)/p+1/t18-/m0/s1