azepan-1-yl-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C18H35N3O+2 MolecularWeight: 309.49

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H33N3O/c1-19-13-8-17(9-14-19)21-12-6-7-16(15-21)18(22)20-10-4-2-3-5-11-20/h16-17H,2-15H2,1H3/p+2/t16-/m0/s1