5-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1-methyl-pyrazolidin-3-one ethanoate

Systemtic Name: 5-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1-methyl-pyrazolidin-3-one ethanoate Openeye Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1-methyl-pyrazolidin-3-one acetate CAS Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1-methyl-3-pyrazolidinone acetate IUPAC Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1-methylpyrazolidin-3-one acetate Traditional Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1-methyl-pyrazolidin-3-one acetate Formula: C13H23N4O3- MolecularWeight: 283.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C(CC(=O)N1)CC2CCCCC(=N2)N

Isomeric SMILES

CC(=O)[O-].CN1C(CC(=O)N1)CC2CCCCC(=N2)N

InChI

InChI=1S/C11H20N4O.C2H4O2/c1-15-9(7-11(16)14-15)6-8-4-2-3-5-10(12)13-8;1-2(3)4/h8-9H,2-7H2,1H3,(H2,12,13)(H,14,16);1H3,(H,3,4)/p-1