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

Systemtic Name: 2-[6-methyl-3-[[1-(2-methylpropyl)pyrrolidin-1-ium-1-yl]methylamino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-isobutylpyrrolidin-1-ium-1-yl)methylamino]-6-methyl-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[6-methyl-3-[[1-(2-methylpropyl)-1-pyrrolidin-1-iumyl]methylamino]-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[6-methyl-3-[[1-(2-methylpropyl)pyrrolidin-1-ium-1-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[3-[(1-isobutylpyrrolidin-1-ium-1-yl)methylamino]-2-keto-6-methyl-pyrazin-1-yl]acetic acid Formula: C16H27N4O3+ MolecularWeight: 323.41058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3/c1-12(2)10-20(6-4-5-7-20)11-18-15-16(23)19(9-14(21)22)13(3)8-17-15/h8,12H,4-7,9-11H2,1-3H3,(H-,17,18,21,22)/p+1