(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N5O3/c27-21(22-10-9-15-12-23-19-6-2-1-5-18(15)19)16-4-3-11-25(14-16)20-8-7-17(13-24-20)26(28)29/h1-2,5-8,12-13,16,23H,3-4,9-11,14H2,(H,22,27)/p+1/t16-/m0/s1