1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]piperidin-1-ium

Systemtic Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]piperidin-1-ium Openeye Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]piperidin-1-ium CAS Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]piperidin-1-ium IUPAC Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]piperidin-1-ium Traditional Name: 1-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]piperidin-1-ium Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@]23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O3/c21-20(22)16-7-8-17-14(13-16)12-15-6-2-3-9-18(15,23-17)19-10-4-1-5-11-19/h7-8,12-13H,1-6,9-11H2/p+1/t18-/m0/s1