(6S)-6-[(4-fluorophenyl)methoxy]-4-(oxan-4-yl)-1-propan-2-yl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-6-[(4-fluorophenyl)methoxy]-4-(oxan-4-yl)-1-propan-2-yl-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-[(4-fluorophenyl)methoxy]-1-isopropyl-4-tetrahydropyran-4-yl-1,4-diazepan-4-ium-2-one CAS Name: (6S)-6-[(4-fluorophenyl)methoxy]-4-(4-oxanyl)-1-propan-2-yl-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-6-[(4-fluorophenyl)methoxy]-4-(oxan-4-yl)-1-propan-2-yl-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-(4-fluorobenzyl)oxy-1-isopropyl-4-tetrahydropyran-4-yl-1,4-diazepan-4-ium-2-one Formula: C20H30FN2O3+ MolecularWeight: 365.462203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(C[NH+](CC1=O)C2CCOCC2)OCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N1C[C@@H](C[NH+](CC1=O)C2CCOCC2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H29FN2O3/c1-15(2)23-12-19(26-14-16-3-5-17(21)6-4-16)11-22(13-20(23)24)18-7-9-25-10-8-18/h3-6,15,18-19H,7-14H2,1-2H3/p+1/t19-/m1/s1