2-[[5-(cyclooctylcarbamoyl)-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-(cyclooctylcarbamoyl)-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(2-pyridylmethyl)pyridine-3-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[5-[(cyclooctylamino)-oxomethyl]-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[5-(cyclooctylcarbamoyl)-4-keto-1-(2-pyridylmethyl)nicotinoyl]amino]ethyl-diethyl-ammonium Formula: C27H40N5O3+ MolecularWeight: 482.6382

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCCCC2)CC3=CC=CC=N3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCCCC2)CC3=CC=CC=N3

InChI

InChI=1S/C27H39N5O3/c1-3-31(4-2)17-16-29-26(34)23-19-32(18-22-14-10-11-15-28-22)20-24(25(23)33)27(35)30-21-12-8-6-5-7-9-13-21/h10-11,14-15,19-21H,3-9,12-13,16-18H2,1-2H3,(H,29,34)(H,30,35)/p+1