2-hydroxyethyl-[(4R)-7-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[(4R)-7-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[(4R)-7-oxo-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]ammonium CAS Name: 2-hydroxyethyl-[(4R)-7-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-4-azepanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[(4R)-7-oxo-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[(4R)-7-keto-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]ammonium Formula: C22H37N3O2+2 MolecularWeight: 375.54808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2CCC(CCC2=O)[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCN2CC[C@@H](CCC2=O)[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O2/c26-18-17-25(19-20-7-3-1-4-8-20)21-9-10-22(27)24(14-11-21)16-15-23-12-5-2-6-13-23/h1,3-4,7-8,21,26H,2,5-6,9-19H2/p+2/t21-/m1/s1