(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(2-methylpropylamino)pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(2-methylpropylamino)pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(isobutylamino)-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(2-methylpropylamino)-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(2-methylpropylamino)pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(isobutylamino)-3-pyridyl]methanone Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC=C(C=C1)C(=O)N2CCC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CC(C)CNC1=NC=C(C=C1)C(=O)N2CCC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C21H34N4O/c1-17(2)15-22-20-10-9-18(16-23-20)21(26)25-12-6-11-24(13-14-25)19-7-4-3-5-8-19/h9-10,16-17,19H,3-8,11-15H2,1-2H3,(H,22,23)/p+1