(10aR)-2,3,4,5,6,7,8,9,10,10a-decahydropyrazino[1,2-a]azepin-5-ium-1-one

Systemtic Name: (10aR)-2,3,4,5,6,7,8,9,10,10a-decahydropyrazino[1,2-a]azepin-5-ium-1-one Openeye Name: (10aR)-2,3,4,5,6,7,8,9,10,10a-decahydropyrazino[1,2-a]azepin-5-ium-1-one CAS Name: (10aR)-2,3,4,5,6,7,8,9,10,10a-decahydropyrazino[1,2-a]azepin-5-ium-1-one IUPAC Name: (10aR)-2,3,4,5,6,7,8,9,10,10a-decahydropyrazino[1,2-a]azepin-5-ium-1-one Traditional Name: (10aR)-2,3,4,5,6,7,8,9,10,10a-decahydropyrazin[1,2-a]azepin-5-ium-1-one Formula: C9H17N2O+ MolecularWeight: 169.24408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(=O)NCC[NH+]2CC1

Isomeric SMILES

C1CC[C@@H]2C(=O)NCC[NH+]2CC1

InChI

InChI=1S/C9H16N2O/c12-9-8-4-2-1-3-6-11(8)7-5-10-9/h8H,1-7H2,(H,10,12)/p+1/t8-/m1/s1