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

Systemtic Name: 2-[[3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(1-indan-2-ylpiperidin-1-ium-4-yl)oxybenzoyl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]oxybenzoyl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-(1-indan-2-ylpiperidin-1-ium-4-yl)oxybenzoyl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

C[NH+](C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C26H35N3O2/c1-27(2)15-16-28(3)26(30)22-9-6-10-25(19-22)31-24-11-13-29(14-12-24)23-17-20-7-4-5-8-21(20)18-23/h4-10,19,23-24H,11-18H2,1-3H3/p+2