(1S,5R)-N-(3-ethynylphenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine

Systemtic Name: (1S,5R)-N-(3-ethynylphenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine Openeye Name: (1S,5R)-N-(3-ethynylphenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine CAS Name: (1S,5R)-N-(3-ethynylphenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine IUPAC Name: (1S,5R)-N-(3-ethynylphenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine Traditional Name: (3-ethynylphenyl)-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amine Formula: C16H21N2+ MolecularWeight: 241.35134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2/c1-3-12-5-4-6-13(9-12)17-14-10-15-7-8-16(11-14)18(15)2/h1,4-6,9,14-17H,7-8,10-11H2,2H3/p+1/t14?,15-,16+