2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C22H28N4O4/c1-16-7-8-20(30-2)17(13-16)24-21(28)14-23-22(29)15-25-9-11-26(12-10-25)18-5-3-4-6-19(18)27/h3-8,13,27H,9-12,14-15H2,1-2H3,(H,23,29)(H,24,28)/p+1