(3S)-3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-benzyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-benzylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-benzyl-pyrrolidine-2,5-quinone Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)C3CC(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3/c27-21-16-20(23(29)26(21)17-18-8-4-3-5-9-18)24-14-10-19(11-15-24)22(28)25-12-6-1-2-7-13-25/h3-5,8-9,19-20H,1-2,6-7,10-17H2/p+1/t20-/m0/s1