(3S)-1-(4-methoxyphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-methoxyphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-methoxyphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methoxyphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methoxyphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-methoxyphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)pyrrolidine-2,5-quinone Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/c1-18-8-3-9-19(11-10-18)15-12-16(21)20(17(15)22)13-4-6-14(23-2)7-5-13/h4-7,15H,3,8-12H2,1-2H3/p+1/t15-/m0/s1