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

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopentylamino)pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopentylamino)-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopentylamino)-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopentylamino)pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopentylamino)-3-pyridyl]methanone Formula: C22H35N4O+ MolecularWeight: 371.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)NC4CCCC4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)NC4CCCC4

InChI

InChI=1S/C22H34N4O/c27-22(18-11-12-21(23-17-18)24-19-7-4-5-8-19)26-14-6-13-25(15-16-26)20-9-2-1-3-10-20/h11-12,17,19-20H,1-10,13-16H2,(H,23,24)/p+1