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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-fluorophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-fluorobenzoyl)-[(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-[(3-fluorophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-fluorobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-fluorobenzoyl)-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C27H38FN3O+2 MolecularWeight: 439.608523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O/c1-29(2)13-6-14-31(27(32)24-9-5-10-25(28)17-24)20-21-11-15-30(16-12-21)26-18-22-7-3-4-8-23(22)19-26/h3-5,7-10,17,21,26H,6,11-16,18-20H2,1-2H3/p+2