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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-hydroxyethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2-hydroxyethyl-[(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-hydroxyethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-hydroxyethyl)amino]propyl-dimethylazanium Traditional Name: 3-[2-hydroxyethyl-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C22H39N3O+2 MolecularWeight: 361.56456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCO)CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2

Isomeric SMILES

C[NH+](C)CCCN(CCO)CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2

InChI

InChI=1S/C22H37N3O/c1-23(2)10-5-11-24(14-15-26)18-19-8-12-25(13-9-19)22-16-20-6-3-4-7-21(20)17-22/h3-4,6-7,19,22,26H,5,8-18H2,1-2H3/p+2