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

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propylamino)pyridin-1-ium-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propylamino)pyridin-1-ium-3-yl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propylamino)pyridin-1-ium-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propylamino)pyridin-1-ium-3-yl]methanone Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=[NH+]C=C(C=C1)C(=O)N2CCC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CCCNC1=[NH+]C=C(C=C1)C(=O)N2CCC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C20H32N4O/c1-2-11-21-19-10-9-17(16-22-19)20(25)24-13-6-12-23(14-15-24)18-7-4-3-5-8-18/h9-10,16,18H,2-8,11-15H2,1H3,(H,21,22)/p+2