2-[6-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]methylamino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]methylamino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)methylamino]-6-methyl-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[6-methyl-3-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]methylamino]-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[6-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[3-[(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)methylamino]-2-keto-6-methyl-pyrazin-1-yl]acetic acid Formula: C17H27N4O5+ MolecularWeight: 367.42008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=O)N1CC(=O)O)NC[N+]2(CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN=C(C(=O)N1CC(=O)O)NC[N+]2(CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N4O5/c1-12-9-18-14(15(24)20(12)10-13(22)23)19-11-21(7-5-6-8-21)16(25)26-17(2,3)4/h9H,5-8,10-11H2,1-4H3,(H-,18,19,22,23)/p+1