1-(4-nitrophenyl)-3-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-(4-nitrophenyl)-3-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-nitrophenyl)thiourea Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c23-22(24)17-8-6-15(7-9-17)19-18(25)20-16-10-11-21(13-16)12-14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H2,19,20,25)/p+1/t16-/m1/s1