2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]benzamide

Systemtic Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]benzamide Openeye Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]benzamide CAS Name: 2-[[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]benzamide Traditional Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H26N4O3/c1-28-17-8-6-16(7-9-17)25-14-12-24(13-15-25)11-10-20(26)23-19-5-3-2-4-18(19)21(22)27/h2-9H,10-15H2,1H3,(H2,22,27)(H,23,26)/p+1