(4-heptylpiperazin-1-yl)carbonyl-oxidanylidene-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)azanium

Systemtic Name: (4-heptylpiperazin-1-yl)carbonyl-oxidanylidene-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)azanium Openeye Name: (4-heptylpiperazine-1-carbonyl)-(2-hydroxy-2-oxo-1-phenyl-ethyl)-oxo-ammonium CAS Name: [(4-heptyl-1-piperazinyl)-oxomethyl]-(2-hydroxy-2-oxo-1-phenylethyl)-oxoammonium IUPAC Name: (4-heptylpiperazine-1-carbonyl)-(2-hydroxy-2-oxo-1-phenylethyl)-oxoazanium Traditional Name: (4-heptylpiperazine-1-carbonyl)-(2-hydroxy-2-keto-1-phenyl-ethyl)-keto-ammonium Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1)C(=O)[N+](=O)C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCN1CCN(CC1)C(=O)[N+](=O)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H29N3O4/c1-2-3-4-5-9-12-21-13-15-22(16-14-21)20(26)23(27)18(19(24)25)17-10-7-6-8-11-17/h6-8,10-11,18H,2-5,9,12-16H2,1H3/p+1