N-carboxy-4-[3-(4-hexanoylphenoxy)propyl]-N-(1-pyridin-4-ylpropan-2-yl)piperazin-1-amine oxide

Systemtic Name: N-carboxy-4-[3-(4-hexanoylphenoxy)propyl]-N-(1-pyridin-4-ylpropan-2-yl)piperazin-1-amine oxide Openeye Name: N-carboxy-4-[3-(4-hexanoylphenoxy)propyl]-N-[1-methyl-2-(4-pyridyl)ethyl]piperazin-1-amine oxide CAS Name: N-carboxy-4-[3-[4-(1-oxohexyl)phenoxy]propyl]-N-(1-pyridin-4-ylpropan-2-yl)-1-piperazinamine oxide IUPAC Name: N-carboxy-4-[3-(4-hexanoylphenoxy)propyl]-N-(1-pyridin-4-ylpropan-2-yl)piperazin-1-amine oxide Traditional Name: 4-[3-(4-caproylphenoxy)propyl]-N-carboxy-N-[1-methyl-2-(4-pyridyl)ethyl]piperazin-1-amine oxide Formula: C28H40N4O5 MolecularWeight: 512.641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)[N+](C(C)CC3=CC=NC=C3)(C(=O)O)[O-]

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)[N+](C(C)CC3=CC=NC=C3)(C(=O)O)[O-]

InChI

InChI=1S/C28H40N4O5/c1-3-4-5-7-27(33)25-8-10-26(11-9-25)37-21-6-16-30-17-19-31(20-18-30)32(36,28(34)35)23(2)22-24-12-14-29-15-13-24/h8-15,23H,3-7,16-22H2,1-2H3,(H,34,35)