methyl-[2-oxidanylidene-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]ethyl]-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]ethyl]-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium Openeye Name: [2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium IUPAC Name: methyl-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium Traditional Name: [2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-(2-keto-2-mesidino-ethyl)-methyl-ammonium Formula: C23H39N5O3+2 MolecularWeight: 433.58746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)C

InChI

InChI=1S/C23H37N5O3/c1-16(2)24-21(30)14-27-7-9-28(10-8-27)22(31)15-26(6)13-20(29)25-23-18(4)11-17(3)12-19(23)5/h11-12,16H,7-10,13-15H2,1-6H3,(H,24,30)(H,25,29)/p+2