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

Systemtic Name: (3S)-N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C21H23ClN5O3+ MolecularWeight: 428.89202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CNC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CNC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O3/c22-16-3-5-19-18(10-16)14(11-24-19)7-8-23-21(28)15-2-1-9-26(13-15)20-6-4-17(12-25-20)27(29)30/h3-6,10-12,15,24H,1-2,7-9,13H2,(H,23,28)/p+1/t15-/m0/s1