(phenylmethyl) 2-[3-chloranyl-5-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-2-methyl-6-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-5-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-2-methyl-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-5-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-2-methyl-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-5-[(1-cyclohexyl-1-pyrrolidin-1-iumyl)methylamino]-2-methyl-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-5-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-2-methyl-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-2-keto-6-methyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C25H34ClN4O3+ MolecularWeight: 474.01546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC(=O)OCC2=CC=CC=C2)NC[N+]3(CCCC3)C4CCCCC4)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC(=O)OCC2=CC=CC=C2)NC[N+]3(CCCC3)C4CCCCC4)Cl

InChI

InChI=1S/C25H34ClN4O3/c1-19-23(26)28-24(27-18-30(14-8-9-15-30)21-12-6-3-7-13-21)25(32)29(19)16-22(31)33-17-20-10-4-2-5-11-20/h2,4-5,10-11,21H,3,6-9,12-18H2,1H3,(H,27,28)/q+1