[4-[[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[4-(4-acetylpiperazin-1-yl)-4-oxo-butanoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[4-(4-acetyl-1-piperazinyl)-1,4-dioxobutyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[4-(4-acetylpiperazin-1-yl)-4-oxobutanoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[4-(4-acetylpiperazino)-4-keto-butanoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C22H34N4O3/c1-4-24(5-2)17-20-8-6-19(7-9-20)16-23-21(28)10-11-22(29)26-14-12-25(13-15-26)18(3)27/h6-9H,4-5,10-17H2,1-3H3,(H,23,28)/p+1