N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(2-phenoxyethanoylamino)ethanamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(2-phenoxyethanoylamino)ethanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-[(1-oxo-2-phenoxyethyl)amino]acetamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-17-14-18(26-12-10-25(2)11-13-26)8-9-20(17)24-21(27)15-23-22(28)16-29-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,28)(H,24,27)/p+1