N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O3/c1-29-16-10-8-15(9-11-16)18(19-14-24-20-6-3-2-5-17(19)20)13-25-22-21(26(27)28)7-4-12-23-22/h2-12,14,18,24H,13H2,1H3,(H,23,25)/p+1/t18-/m0/s1