1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)thiourea Formula: C19H22ClN4O2S+ MolecularWeight: 405.92158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C19H21ClN4O2S/c20-17-6-2-1-5-16(17)18(23-11-3-4-12-23)13-21-19(27)22-14-7-9-15(10-8-14)24(25)26/h1-2,5-10,18H,3-4,11-13H2,(H2,21,22,27)/p+1/t18-/m0/s1