3-[4-(4-piperazin-4-ium-1-ylphenyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(4-piperazin-4-ium-1-ylphenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(4-piperazin-4-ium-1-ylphenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[4-(1-piperazin-4-iumyl)phenyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(4-piperazin-4-ium-1-ylphenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(4-piperazin-4-ium-1-ylphenyl)piperazin-1-ium-1-yl]propionate Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N3CC[NH+](CC3)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N3CC[NH+](CC3)CCC(=O)[O-]

InChI

InChI=1S/C17H26N4O2/c22-17(23)5-8-19-11-13-21(14-12-19)16-3-1-15(2-4-16)20-9-6-18-7-10-20/h1-4,18H,5-14H2,(H,22,23)/p+1