1-(1-azanylpiperidin-1-ium-1-yl)-2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propan-1-one

Systemtic Name: 1-(1-azanylpiperidin-1-ium-1-yl)-2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propan-1-one Openeye Name: 1-(1-aminopiperidin-1-ium-1-yl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propan-1-one CAS Name: 1-(1-amino-1-piperidin-1-iumyl)-2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-propanone IUPAC Name: 1-(1-aminopiperidin-1-ium-1-yl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropan-1-one Traditional Name: 1-(1-aminopiperidin-1-ium-1-yl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propan-1-one Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[N+]1(CCCCC1)N)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)[N+]1(CCCCC1)N)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN2O3/c1-22(2,21(27)25(24)14-4-3-5-15-25)28-19-12-8-17(9-13-19)20(26)16-6-10-18(23)11-7-16/h6-13H,3-5,14-15,24H2,1-2H3/q+1