methyl (2R)-2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H31N3O4/c1-15(2)13-18(20(25)27-4)21-19(24)14-22-9-11-23(12-10-22)16-5-7-17(26-3)8-6-16/h5-8,15,18H,9-14H2,1-4H3,(H,21,24)/p+1/t18-/m1/s1