(3S)-N-[(1-ethylindol-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(1-ethylindol-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(1-ethylindol-3-yl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(1-ethyl-3-indolyl)methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(1-ethylindol-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (1-ethylindol-3-yl)methyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C22H29N4+ MolecularWeight: 349.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CNC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C22H28N4/c1-2-26-15-18(21-10-3-4-11-22(21)26)14-24-20-9-7-13-25(17-20)16-19-8-5-6-12-23-19/h3-6,8,10-12,15,20,24H,2,7,9,13-14,16-17H2,1H3/p+1/t20-/m0/s1