3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2,6-dimethylpyrimidin-4-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2,6-dimethylpyrimidin-4-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,6-dimethylpyrimidine-4-carbonyl)-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2,6-dimethylpyrimidine-4-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,6-dimethylpyrimidine-4-carbonyl)-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C27H41N5O+2 MolecularWeight: 451.64734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3)C

InChI

InChI=1S/C27H39N5O/c1-20-16-26(29-21(2)28-20)27(33)32(13-7-12-30(3)4)19-22-10-14-31(15-11-22)25-17-23-8-5-6-9-24(23)18-25/h5-6,8-9,16,22,25H,7,10-15,17-19H2,1-4H3/p+2