2-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzenecarbonitrile

Systemtic Name: 2-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzenecarbonitrile Openeye Name: 2-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzonitrile CAS Name: 2-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzonitrile IUPAC Name: 2-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzonitrile Traditional Name: 2-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzonitrile Formula: C15H20N3+ MolecularWeight: 242.3394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)NC3=CC=CC=C3C#N

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)NC3=CC=CC=C3C#N

InChI

InChI=1S/C15H19N3/c1-18-13-6-7-14(18)9-12(8-13)17-15-5-3-2-4-11(15)10-16/h2-5,12-14,17H,6-9H2,1H3/p+1/t12?,13-,14+