4-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzenecarbonitrile Openeye Name: 4-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzonitrile CAS Name: 4-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzonitrile IUPAC Name: 4-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzonitrile Traditional Name: 4-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amino]benzonitrile Formula: C15H20N3+ MolecularWeight: 242.3394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H19N3/c1-18-14-6-7-15(18)9-13(8-14)17-12-4-2-11(10-16)3-5-12/h2-5,13-15,17H,6-9H2,1H3/p+1/t13?,14-,15+