4-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzonitrile Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H18N4O3/c18-11-13-5-6-14(15(10-13)21(22)23)19-12-16(17-4-3-9-24-17)20-7-1-2-8-20/h3-6,9-10,16,19H,1-2,7-8,12H2/p+1/t16-/m0/s1