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

Systemtic Name: 2-[3-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-6-methyl-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-6-methyl-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[3-[(1-cyclohexyl-1-pyrrolidin-1-iumyl)methylamino]-6-methyl-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[3-[(1-cyclohexylpyrrolidin-1-ium-1-yl)methylamino]-2-keto-6-methyl-pyrazin-1-yl]acetic acid Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=O)N1CC(=O)O)NC[N+]2(CCCC2)C3CCCCC3

Isomeric SMILES

CC1=CN=C(C(=O)N1CC(=O)O)NC[N+]2(CCCC2)C3CCCCC3

InChI

InChI=1S/C18H28N4O3/c1-14-11-19-17(18(25)21(14)12-16(23)24)20-13-22(9-5-6-10-22)15-7-3-2-4-8-15/h11,15H,2-10,12-13H2,1H3,(H-,19,20,23,24)/p+1