cyclooctyl-[[3-(pyridin-2-ylcarbonylamino)-5-pyrrolidin-1-ylcarbonyl-phenyl]methyl]azanium

Systemtic Name: cyclooctyl-[[3-(pyridin-2-ylcarbonylamino)-5-pyrrolidin-1-ylcarbonyl-phenyl]methyl]azanium Openeye Name: cyclooctyl-[[3-(pyridine-2-carbonylamino)-5-(pyrrolidine-1-carbonyl)phenyl]methyl]ammonium CAS Name: cyclooctyl-[[3-[[oxo(2-pyridinyl)methyl]amino]-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[3-(pyridine-2-carbonylamino)-5-(pyrrolidine-1-carbonyl)phenyl]methyl]azanium Traditional Name: cyclooctyl-[3-picolinamido-5-(pyrrolidine-1-carbonyl)benzyl]ammonium Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC2=CC(=CC(=C2)C(=O)N3CCCC3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC2=CC(=CC(=C2)C(=O)N3CCCC3)NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C26H34N4O2/c31-25(24-12-6-7-13-27-24)29-23-17-20(19-28-22-10-4-2-1-3-5-11-22)16-21(18-23)26(32)30-14-8-9-15-30/h6-7,12-13,16-18,22,28H,1-5,8-11,14-15,19H2,(H,29,31)/p+1