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

Systemtic Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitro-benzamide Openeye Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitro-benzamide CAS Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitrobenzamide IUPAC Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitrobenzamide Traditional Name: N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-4-nitro-benzamide Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c22-18(12-4-6-15(7-5-12)21(23)24)19-13-10-16-2-1-3-17(11-13)20(16)14-8-9-14/h4-7,13-14,16-17H,1-3,8-11H2,(H,19,22)/p+1/t13?,16-,17+