azepan-2-ylidene-[(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-(4-methoxyphenyl)azanium

Systemtic Name: azepan-2-ylidene-[(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-(4-methoxyphenyl)azanium Openeye Name: azepan-2-ylidene-[(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-(4-methoxyphenyl)ammonium CAS Name: 2-azepanylidene-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-(4-methoxyphenyl)ammonium IUPAC Name: azepan-2-ylidene-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-(4-methoxyphenyl)azanium Traditional Name: azepan-2-ylidene-[(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]-(4-methoxyphenyl)ammonium Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)[N+](=C2CCCCCN2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Cl)[N+](=C2CCCCCN2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25ClN2O2/c1-16(22(26)17-7-9-18(23)10-8-17)25(21-6-4-3-5-15-24-21)19-11-13-20(27-2)14-12-19/h7-14,16H,3-6,15H2,1-2H3/p+1/t16-/m1/s1