(6R)-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-[(3,5-dimethoxyphenyl)methoxy]-1-isopropyl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-4-(5-quinoxalinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-(3,5-dimethoxybenzyl)oxy-1-isopropyl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C26H33N4O4+ MolecularWeight: 465.56462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O4/c1-18(2)30-15-23(34-17-19-10-21(32-3)12-22(11-19)33-4)14-29(16-25(30)31)13-20-6-5-7-24-26(20)28-9-8-27-24/h5-12,18,23H,13-17H2,1-4H3/p+1/t23-/m0/s1