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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-pyridin-2-ylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[3-(2-pyridyl)propanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[1-oxo-3-(2-pyridinyl)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-pyridin-2-ylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[3-(2-pyridyl)propanoyl]amino]propyl-dimethyl-ammonium Formula: C28H42N4O+2 MolecularWeight: 450.65928

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCC4=CC=CC=N4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCC4=CC=CC=N4

InChI

InChI=1S/C28H40N4O/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/h3-6,8-10,15,23,27H,7,11-14,16-22H2,1-2H3/p+2