3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-pyrazin-2-ylpropanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-pyrazin-2-ylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-pyrazin-2-ylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[1-oxo-3-(2-pyrazinyl)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-pyrazin-2-ylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-pyrazin-2-ylpropanoyl)amino]propyl-dimethyl-ammonium Formula: C27H41N5O+2 MolecularWeight: 451.64734

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)CCC4=NC=CN=C4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCC4=NC=CN=C4

InChI

InChI=1S/C27H39N5O/c1-30(2)14-5-15-32(27(33)9-8-25-20-28-12-13-29-25)21-22-10-16-31(17-11-22)26-18-23-6-3-4-7-24(23)19-26/h3-4,6-7,12-13,20,22,26H,5,8-11,14-19,21H2,1-2H3/p+2