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

Systemtic Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitro-benzamide Openeye Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitro-benzamide CAS Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitrobenzamide IUPAC Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitrobenzamide Traditional Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitro-benzamide Formula: C18H24N3O3+ MolecularWeight: 330.40146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)[NH+]2C3CC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H]2CC(C[C@H](C1)[NH+]2C3CC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O3/c22-18(12-3-1-6-17(9-12)21(23)24)19-13-10-15-4-2-5-16(11-13)20(15)14-7-8-14/h1,3,6,9,13-16H,2,4-5,7-8,10-11H2,(H,19,22)/p+1/t13?,15-,16+