(3S)-3-(2-phenoxyethyl)piperidin-1-ium

Systemtic Name: (3S)-3-(2-phenoxyethyl)piperidin-1-ium Openeye Name: (3S)-3-(2-phenoxyethyl)piperidin-1-ium CAS Name: (3S)-3-(2-phenoxyethyl)piperidin-1-ium IUPAC Name: (3S)-3-(2-phenoxyethyl)piperidin-1-ium Traditional Name: (3S)-3-(2-phenoxyethyl)piperidin-1-ium Formula: C13H20NO+ MolecularWeight: 206.304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)CCOC2=CC=CC=C2

Isomeric SMILES

C1C[C@H](C[NH2+]C1)CCOC2=CC=CC=C2

InChI

InChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2/p+1/t12-/m0/s1