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

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(pyridin-3-ylmethylamino)pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(3-pyridylmethylamino)-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(3-pyridinylmethylamino)-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(pyridin-3-ylmethylamino)pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(3-pyridylmethylamino)-3-pyridyl]methanone Formula: C23H32N5O+ MolecularWeight: 394.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)NCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C23H31N5O/c29-23(28-13-5-12-27(14-15-28)21-7-2-1-3-8-21)20-9-10-22(26-18-20)25-17-19-6-4-11-24-16-19/h4,6,9-11,16,18,21H,1-3,5,7-8,12-15,17H2,(H,25,26)/p+1