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

Systemtic Name: N-[(1R,5S)-9-cyclohexyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-methyl-benzamide Openeye Name: N-[(1R,5S)-9-cyclohexyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-methyl-benzamide CAS Name: N-[(1R,5S)-9-cyclohexyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-methylbenzamide IUPAC Name: N-[(1R,5S)-9-cyclohexyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-methylbenzamide Traditional Name: N-[(1R,5S)-9-cyclohexyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-methyl-benzamide Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2CC3CCCC(C2)[NH+]3C4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C4CCCCC4

InChI

InChI=1S/C22H32N2O/c1-16-7-5-8-17(13-16)22(25)23-18-14-20-11-6-12-21(15-18)24(20)19-9-3-2-4-10-19/h5,7-8,13,18-21H,2-4,6,9-12,14-15H2,1H3,(H,23,25)/p+1/t18?,20-,21+