3-nitro-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridin-1-ium-2-amine Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-nitro-pyridin-1-ium-2-amine CAS Name: 3-nitro-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-pyridin-1-iumamine IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(3R)-1-benzylpyrrolidin-1-ium-3-yl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C16H20N4O2+2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=C(C=CC=[NH+]2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@H]1NC2=C(C=CC=[NH+]2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c21-20(22)15-7-4-9-17-16(15)18-14-8-10-19(12-14)11-13-5-2-1-3-6-13/h1-7,9,14H,8,10-12H2,(H,17,18)/p+2/t14-/m1/s1