2-[2-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazin-4-iumyl]ethyl]amino]benzamide IUPAC Name: 2-[[2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-[2-(allylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]acetyl]amino]benzamide Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)N

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C18H25N5O3/c1-2-7-20-16(24)12-22-8-10-23(11-9-22)13-17(25)21-15-6-4-3-5-14(15)18(19)26/h2-6H,1,7-13H2,(H2,19,26)(H,20,24)(H,21,25)/p+1