1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-benzyl-3-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NCC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=S)NCC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C18H23N3OS/c23-18(19-13-15-7-2-1-3-8-15)20-14-16(17-9-6-12-22-17)21-10-4-5-11-21/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H2,19,20,23)/p+1/t16-/m1/s1