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

Systemtic Name: 1-butyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-butyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-butyl-3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-butyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-butyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C19H32N3OS+ MolecularWeight: 350.54188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC(C1=CC=C(C=C1)OC)[NH+]2CCCCC2

Isomeric SMILES

CCCCNC(=S)NC[C@@H](C1=CC=C(C=C1)OC)[NH+]2CCCCC2

InChI

InChI=1S/C19H31N3OS/c1-3-4-12-20-19(24)21-15-18(22-13-6-5-7-14-22)16-8-10-17(23-2)11-9-16/h8-11,18H,3-7,12-15H2,1-2H3,(H2,20,21,24)/p+1/t18-/m0/s1