methyl 2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCC(=O)OC

InChI

InChI=1S/C16H23N3O3/c1-13-5-3-4-6-14(13)19-9-7-18(8-10-19)12-15(20)17-11-16(21)22-2/h3-6H,7-12H2,1-2H3,(H,17,20)/p+1