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

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[(3-methylpyridin-2-yl)methylamino]pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[(3-methyl-2-pyridyl)methylamino]-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[(3-methyl-2-pyridinyl)methylamino]-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[(3-methylpyridin-2-yl)methylamino]pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[(3-methyl-2-pyridyl)methylamino]-3-pyridyl]methanone Formula: C24H34N5O+ MolecularWeight: 408.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CNC2=NC=C(C=C2)C(=O)N3CCC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC1=C(N=CC=C1)CNC2=NC=C(C=C2)C(=O)N3CCC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C24H33N5O/c1-19-7-5-12-25-22(19)18-27-23-11-10-20(17-26-23)24(30)29-14-6-13-28(15-16-29)21-8-3-2-4-9-21/h5,7,10-12,17,21H,2-4,6,8-9,13-16,18H2,1H3,(H,26,27)/p+1