3-[azanyl(phenyl)methyl]-4-hexyl-1-oxidanylidene-piperazin-1-ium-2-one

Systemtic Name: 3-[azanyl(phenyl)methyl]-4-hexyl-1-oxidanylidene-piperazin-1-ium-2-one Openeye Name: 3-[amino(phenyl)methyl]-4-hexyl-1-oxo-piperazin-1-ium-2-one CAS Name: 3-[amino(phenyl)methyl]-4-hexyl-1-oxo-2-piperazin-1-iumone IUPAC Name: 3-[amino(phenyl)methyl]-4-hexyl-1-oxopiperazin-1-ium-2-one Traditional Name: 3-[amino(phenyl)methyl]-4-hexyl-1-keto-piperazin-1-ium-2-one Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC[N+](=O)C(=O)C1C(C2=CC=CC=C2)N

Isomeric SMILES

CCCCCCN1CC[N+](=O)C(=O)C1C(C2=CC=CC=C2)N

InChI

InChI=1S/C17H26N3O2/c1-2-3-4-8-11-19-12-13-20(22)17(21)16(19)15(18)14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13,18H2,1H3/q+1