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

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-prop-2-enylthiourea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C18H28N3OS+ MolecularWeight: 334.49942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3OS/c1-3-11-19-18(23)20-14-17(21-12-5-4-6-13-21)15-7-9-16(22-2)10-8-15/h3,7-10,17H,1,4-6,11-14H2,2H3,(H2,19,20,23)/p+1/t17-/m0/s1