(3R)-N-(2-chloranyl-4-nitro-phenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3R)-N-(2-chloranyl-4-nitro-phenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3R)-1-benzyl-N-(2-chloro-4-nitro-phenyl)pyrrolidin-1-ium-3-amine CAS Name: (3R)-N-(2-chloro-4-nitrophenyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3R)-1-benzyl-N-(2-chloro-4-nitrophenyl)pyrrolidin-1-ium-3-amine Traditional Name: [(3R)-1-benzylpyrrolidin-1-ium-3-yl]-(2-chloro-4-nitro-phenyl)amine Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2/c18-16-10-15(21(22)23)6-7-17(16)19-14-8-9-20(12-14)11-13-4-2-1-3-5-13/h1-7,10,14,19H,8-9,11-12H2/p+1/t14-/m1/s1