(3R)-3-[2-(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-4-cyclopentyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-4-cyclopentylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-2-keto-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Formula: C22H40N4O2+2 MolecularWeight: 392.5786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)CC3C(=O)NCC[NH+]3C4CCCC4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3C4CCCC4

InChI

InChI=1S/C22H38N4O2/c27-21(17-20-22(28)23-11-14-26(20)19-9-4-5-10-19)25-13-6-12-24(15-16-25)18-7-2-1-3-8-18/h18-20H,1-17H2,(H,23,28)/p+2/t20-/m1/s1