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

Systemtic Name: methyl (2R)-4-methyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]valeric acid methyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C20H31N3O3/c1-15(2)13-17(20(25)26-4)21-19(24)14-22-9-11-23(12-10-22)18-8-6-5-7-16(18)3/h5-8,15,17H,9-14H2,1-4H3,(H,21,24)/p+1/t17-/m1/s1