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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O/c1-19-16-25-11-10-20(19)17-26-23-9-8-21(18-27-23)24(30)29-13-5-12-28(14-15-29)22-6-3-2-4-7-22/h8-11,16,18,22H,2-7,12-15,17H2,1H3,(H,26,27)/p+1