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

Systemtic Name: [3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-phenethyl-azanium Openeye Name: [3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-phenethyl-ammonium CAS Name: [3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-phenethylammonium IUPAC Name: [3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-phenethylazanium Traditional Name: [3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-phenethyl-ammonium Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c26-22(12-14-23-13-11-20-7-3-1-4-8-20)25-17-15-24(16-18-25)19-21-9-5-2-6-10-21/h1-10,23H,11-19H2/p+2