(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-(6-pyrrolidin-1-ylpyridin-3-yl)methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-(6-pyrrolidin-1-ylpyridin-3-yl)methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-(6-pyrrolidin-1-yl-3-pyridyl)methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(1-pyrrolidinyl)-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-(6-pyrrolidin-1-ylpyridin-3-yl)methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-(6-pyrrolidino-3-pyridyl)methanone Formula: C21H33N4O+ MolecularWeight: 357.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H32N4O/c26-21(18-9-10-20(22-17-18)24-11-4-5-12-24)25-14-6-13-23(15-16-25)19-7-2-1-3-8-19/h9-10,17,19H,1-8,11-16H2/p+1