(3R)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenylpyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-pyrrolidine-2,5-quinone Formula: C16H22N3O2+ MolecularWeight: 288.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2/c1-17-8-5-9-18(11-10-17)14-12-15(20)19(16(14)21)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/p+1/t14-/m1/s1