[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]azanium

Systemtic Name: [3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]azanium Openeye Name: [3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]ammonium CAS Name: [3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]ammonium IUPAC Name: [3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]azanium Traditional Name: [3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC[NH3+]

InChI

InChI=1S/C14H21N3O/c15-7-6-14(18)17-10-8-16(9-11-17)12-13-4-2-1-3-5-13/h1-5H,6-12,15H2/p+2