[6-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]hexyl]azanium

Systemtic Name: [6-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]hexyl]azanium Openeye Name: [6-(4-benzylpiperazin-1-yl)-6-oxo-hexyl]ammonium CAS Name: [6-oxo-6-[4-(phenylmethyl)-1-piperazinyl]hexyl]ammonium IUPAC Name: [6-(4-benzylpiperazin-1-yl)-6-oxohexyl]azanium Traditional Name: [6-(4-benzylpiperazino)-6-keto-hexyl]ammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCCC[NH3+]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCCC[NH3+]

InChI

InChI=1S/C17H27N3O/c18-10-6-2-5-9-17(21)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15,18H2/p+1