[3-oxidanylidene-3-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-yl]propyl]azanium

Systemtic Name: [3-oxidanylidene-3-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-yl]propyl]azanium Openeye Name: [3-[4-[2-(benzylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]ammonium CAS Name: [3-oxo-3-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazin-4-iumyl]propyl]ammonium IUPAC Name: [3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]azanium Traditional Name: [3-[4-[2-(benzylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]ammonium Formula: C16H26N4O2+2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)CC[NH3+]

InChI

InChI=1S/C16H24N4O2/c17-7-6-16(22)20-10-8-19(9-11-20)13-15(21)18-12-14-4-2-1-3-5-14/h1-5H,6-13,17H2,(H,18,21)/p+2