(6S)-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-[(4-fluorophenyl)methoxy]-1-isopropyl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6S)-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(5-quinoxalinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-(4-fluorobenzyl)oxy-1-isopropyl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C24H28FN4O2+ MolecularWeight: 423.503123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(C[NH+](CC1=O)CC2=C3C(=CC=C2)N=CC=N3)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)N1C[C@@H](C[NH+](CC1=O)CC2=C3C(=CC=C2)N=CC=N3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O2/c1-17(2)29-14-21(31-16-18-6-8-20(25)9-7-18)13-28(15-23(29)30)12-19-4-3-5-22-24(19)27-11-10-26-22/h3-11,17,21H,12-16H2,1-2H3/p+1/t21-/m1/s1