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

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[ethyl(methyl)amino]pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[ethyl(methyl)amino]-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[ethyl(methyl)amino]-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[ethyl(methyl)amino]pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[ethyl(methyl)amino]-3-pyridyl]methanone Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O/c1-3-22(2)19-11-10-17(16-21-19)20(25)24-13-7-12-23(14-15-24)18-8-5-4-6-9-18/h10-11,16,18H,3-9,12-15H2,1-2H3/p+1