(5S)-1-(cyclohexylmethyl)-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5S)-1-(cyclohexylmethyl)-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)azepan-2-one Openeye Name: (5S)-1-(cyclohexylmethyl)-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)azepan-2-one CAS Name: (5S)-1-(cyclohexylmethyl)-5-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-2-azepanone IUPAC Name: (5S)-1-(cyclohexylmethyl)-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5S)-1-(cyclohexylmethyl)-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)azepan-2-one Formula: C23H43N3O+2 MolecularWeight: 377.60702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCC(CCC2=O)[NH+]3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)CN2CC[C@H](CCC2=O)[NH+]3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C23H41N3O/c27-23-10-9-21(13-18-26(23)19-20-7-3-1-4-8-20)25-16-11-22(12-17-25)24-14-5-2-6-15-24/h20-22H,1-19H2/p+2/t21-/m0/s1