[2-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

Systemtic Name: [2-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-[2-[4-[2-(methylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: [2-[4-[2-(methylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]ammonium IUPAC Name: [2-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium Traditional Name: [2-keto-2-[4-[2-keto-2-(methylamino)ethyl]piperazin-4-ium-1-yl]ethyl]-[(1S)-2-methyl-1-p-cumenyl-propyl]ammonium Formula: C22H38N4O2+2 MolecularWeight: 390.56272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(C)C)[NH2+]CC(=O)N2CC[NH+](CC2)CC(=O)NC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC(=O)N2CC[NH+](CC2)CC(=O)NC

InChI

InChI=1S/C22H36N4O2/c1-16(2)18-6-8-19(9-7-18)22(17(3)4)24-14-21(28)26-12-10-25(11-13-26)15-20(27)23-5/h6-9,16-17,22,24H,10-15H2,1-5H3,(H,23,27)/p+2/t22-/m0/s1