N-[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C21H19N4O2+ MolecularWeight: 359.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2/c26-25(27)20-11-6-12-22-21(20)24-13-17(15-7-2-1-3-8-15)18-14-23-19-10-5-4-9-16(18)19/h1-12,14,17,23H,13H2,(H,22,24)/p+1/t17-/m0/s1