methyl (2R,3S)-2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C19H29N3O4/c1-4-14(2)18(19(25)26-3)20-17(24)13-21-9-11-22(12-10-21)15-7-5-6-8-16(15)23/h5-8,14,18,23H,4,9-13H2,1-3H3,(H,20,24)/p+1/t14-,18+/m0/s1