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

Systemtic Name: methyl (2R)-2-[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H29ClN3O3+ MolecularWeight: 382.90486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H28ClN3O3/c1-14(2)12-16(19(25)26-3)21-18(24)13-22-8-10-23(11-9-22)17-7-5-4-6-15(17)20/h4-7,14,16H,8-13H2,1-3H3,(H,21,24)/p+1/t16-/m1/s1