(3S)-N-methyl-N-phenethyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-N-phenethyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-N-phenethyl-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-phenethyl-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-N-phenethyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: methyl-phenethyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C20H27N3/c1-22(15-12-18-8-3-2-4-9-18)20-11-7-14-23(17-20)16-19-10-5-6-13-21-19/h2-6,8-10,13,20H,7,11-12,14-17H2,1H3/p+1/t20-/m0/s1