N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitro-benzamide

Systemtic Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitro-benzamide Openeye Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitro-benzamide CAS Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitrobenzamide IUPAC Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitrobenzamide Traditional Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitro-benzamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2C3CCCC2CC(C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2[C@@H]3CCC[C@H]2CC(C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O3/c24-20(14-5-3-10-19(11-14)23(25)26)21-15-12-17-8-4-9-18(13-15)22(17)16-6-1-2-7-16/h3,5,10-11,15-18H,1-2,4,6-9,12-13H2,(H,21,24)/p+1/t15?,17-,18+