(3S)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C22H26N5O4+ MolecularWeight: 424.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)C3CCCN(C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)[C@H]3CCCN(C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c1-31-18-5-6-19-15(12-24-20(19)11-18)8-9-23-22(28)16-3-2-10-26(14-16)21-7-4-17(13-25-21)27(29)30/h4-7,11-13,16,24H,2-3,8-10,14H2,1H3,(H,23,28)/p+1/t16-/m0/s1