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

Systemtic Name: 2-[[5-(cyclooctylcarbamoyl)-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonyl-methyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(2-pyridylmethyl)pyridine-3-carbonyl]-methyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[5-[(cyclooctylamino)-oxomethyl]-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]-oxomethyl]-methylamino]ethyl-diethylammonium IUPAC Name: 2-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]-methylamino]ethyl-diethylazanium Traditional Name: 2-[[5-(cyclooctylcarbamoyl)-4-keto-1-(2-pyridylmethyl)nicotinoyl]-methyl-amino]ethyl-diethyl-ammonium Formula: C28H42N5O3+ MolecularWeight: 496.66478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N5O3/c1-4-32(5-2)18-17-31(3)28(36)25-21-33(19-23-15-11-12-16-29-23)20-24(26(25)34)27(35)30-22-13-9-7-6-8-10-14-22/h11-12,15-16,20-22H,4-10,13-14,17-19H2,1-3H3,(H,30,35)/p+1