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

Systemtic Name: 1-(phenylmethyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-benzyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(phenylmethyl)-3-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-benzyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-benzyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea Formula: C18H24N3S2+ MolecularWeight: 346.53326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=S)NCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C18H23N3S2/c22-18(19-13-15-7-2-1-3-8-15)20-14-16(17-9-6-12-23-17)21-10-4-5-11-21/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H2,19,20,22)/p+1/t16-/m1/s1