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

Systemtic Name: [3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]ammonium CAS Name: [3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]azanium Traditional Name: benzyl-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]ammonium Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC[NH2+]CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c25-21(11-12-22-17-19-7-3-1-4-8-19)24-15-13-23(14-16-24)18-20-9-5-2-6-10-20/h1-10,22H,11-18H2/p+2