4-[[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-[2-(isobutylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]-N-phenyl-benzamide Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O2/c1-19(2)16-25-23(29)18-28-14-12-27(13-15-28)17-20-8-10-21(11-9-20)24(30)26-22-6-4-3-5-7-22/h3-11,19H,12-18H2,1-2H3,(H,25,29)(H,26,30)/p+1