2-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C22H28N4O4/c1-29-17-6-8-18(9-7-17)30-15-14-25-10-12-26(13-11-25)16-21(27)24-20-5-3-2-4-19(20)22(23)28/h2-9H,10-16H2,1H3,(H2,23,28)(H,24,27)/p+1