[(4R)-1-[(4-fluorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(4R)-1-[(4-fluorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4R)-1-[(4-fluorophenyl)methyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: [(4R)-1-[(4-fluorophenyl)methyl]-7-oxo-4-azepanyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4R)-1-[(4-fluorophenyl)methyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: benzyl-[(4R)-1-(4-fluorobenzyl)-7-keto-azepan-4-yl]-methyl-ammonium Formula: C21H26FN2O+ MolecularWeight: 341.442343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@@H]2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O/c1-23(15-17-5-3-2-4-6-17)20-11-12-21(25)24(14-13-20)16-18-7-9-19(22)10-8-18/h2-10,20H,11-16H2,1H3/p+1/t20-/m1/s1