(3S)-1-[(3-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-(4-pyridylmethyl)amine Formula: C19H26N3O+ MolecularWeight: 312.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CC=NC=C3

InChI

InChI=1S/C19H25N3O/c1-23-19-6-2-4-17(12-19)14-22-11-3-5-18(15-22)21-13-16-7-9-20-10-8-16/h2,4,6-10,12,18,21H,3,5,11,13-15H2,1H3/p+1/t18-/m0/s1