[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: (2R)-2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C24H30ClN4O4+ MolecularWeight: 473.9724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C[C@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN4O4/c1-17(2)15-20(27-23(31)18-6-8-19(25)9-7-18)24(32)33-16-22(30)29-13-11-28(12-14-29)21-5-3-4-10-26-21/h3-10,17,20H,11-16H2,1-2H3,(H,27,31)/p+1/t20-/m1/s1