N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC4=C(C=CC=[NH+]4)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC4=C(C=CC=[NH+]4)[N+](=O)[O-])C

InChI

InChI=1S/C17H23N3O2/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)19-14-13(20(21)22)4-3-5-18-14/h3-5,12H,6-11H2,1-2H3,(H,18,19)/p+1/t12?,15-,16+,17?