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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O/c1-3-23(4-2)20-12-11-18(17-22-20)21(26)25-14-8-13-24(15-16-25)19-9-6-5-7-10-19/h11-12,17,19H,3-10,13-16H2,1-2H3/p+1