(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(2-pyridylmethylamino)pyridin-1-ium-3-yl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(2-pyridinylmethylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(2-pyridylmethylamino)pyridin-1-ium-3-yl]methanone Formula: C23H33N5O+2 MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

InChI

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