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

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(methylamino)pyridin-1-ium-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(methylamino)pyridin-1-ium-3-yl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(methylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(methylamino)pyridin-1-ium-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(methylamino)pyridin-1-ium-3-yl]methanone Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O/c1-19-17-9-8-15(14-20-17)18(23)22-11-5-10-21(12-13-22)16-6-3-2-4-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,19,20)/p+2