3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[(E)-3-(2-pyridyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(E)-1-oxo-3-(2-pyridinyl)prop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[(E)-3-(2-pyridyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C28H40N4O+2 MolecularWeight: 448.6434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)C=CC4=CC=CC=N4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C28H38N4O/c1-30(2)16-7-17-32(28(33)12-11-26-10-5-6-15-29-26)22-23-13-18-31(19-14-23)27-20-24-8-3-4-9-25(24)21-27/h3-6,8-12,15,23,27H,7,13-14,16-22H2,1-2H3/p+2/b12-11+