1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-benzyl-3-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NCC2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=S)NCC2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3S/c21-18-11-5-4-10-17(18)19(24-12-6-7-13-24)15-23-20(25)22-14-16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H2,22,23,25)/p+1/t19-/m1/s1