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

Systemtic Name: methyl (2R,3S)-2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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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=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-5-15(2)19(20(25)27-4)21-18(24)14-22-9-11-23(12-10-22)16-7-6-8-17(13-16)26-3/h6-8,13,15,19H,5,9-12,14H2,1-4H3,(H,21,24)/p+1/t15-,19+/m0/s1