N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitro-benzamide

Systemtic Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitro-benzamide Openeye Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitro-benzamide CAS Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitrobenzamide IUPAC Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitrobenzamide Traditional Name: N-[(1R,5S)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c24-20(14-8-10-17(11-9-14)23(25)26)21-15-12-18-6-3-7-19(13-15)22(18)16-4-1-2-5-16/h8-11,15-16,18-19H,1-7,12-13H2,(H,21,24)/p+1/t15?,18-,19+