(5S)-1-(cyclohexylmethyl)-5-[(3S)-3-methylpiperidin-1-ium-1-yl]azepan-2-one

Systemtic Name: (5S)-1-(cyclohexylmethyl)-5-[(3S)-3-methylpiperidin-1-ium-1-yl]azepan-2-one Openeye Name: (5S)-1-(cyclohexylmethyl)-5-[(3S)-3-methylpiperidin-1-ium-1-yl]azepan-2-one CAS Name: (5S)-1-(cyclohexylmethyl)-5-[(3S)-3-methyl-1-piperidin-1-iumyl]-2-azepanone IUPAC Name: (5S)-1-(cyclohexylmethyl)-5-[(3S)-3-methylpiperidin-1-ium-1-yl]azepan-2-one Traditional Name: (5S)-1-(cyclohexylmethyl)-5-[(3S)-3-methylpiperidin-1-ium-1-yl]azepan-2-one Formula: C19H35N2O+ MolecularWeight: 307.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2CCC(=O)N(CC2)CC3CCCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H]2CCC(=O)N(CC2)CC3CCCCC3

InChI

InChI=1S/C19H34N2O/c1-16-6-5-12-20(14-16)18-9-10-19(22)21(13-11-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3/p+1/t16-,18-/m0/s1