N-cyclopropyl-3-[2-[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-3-[2-[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[4-[2-(isobutylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]acetyl]amino]benzamide Formula: C22H34N5O3+ MolecularWeight: 416.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H33N5O3/c1-16(2)13-23-20(28)14-26-8-10-27(11-9-26)15-21(29)24-19-5-3-4-17(12-19)22(30)25-18-6-7-18/h3-5,12,16,18H,6-11,13-15H2,1-2H3,(H,23,28)(H,24,29)(H,25,30)/p+1