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

Systemtic Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(2-pyridinylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCC[NH+](CC4)CC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCC[NH+](CC4)CC5=CC=CC=N5

InChI

InChI=1S/C25H30N4O2/c30-25(29-14-6-13-28(15-16-29)18-21-9-4-5-12-26-21)20-10-11-22-23(17-20)31-24(27-22)19-7-2-1-3-8-19/h4-5,9-12,17,19H,1-3,6-8,13-16,18H2/p+1