2-methyl-N-[(6S)-6-methyl-5-(1-octylpyridin-1-ium-3-yl)carbonyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-2-yl]propanamide

Systemtic Name: 2-methyl-N-[(6S)-6-methyl-5-(1-octylpyridin-1-ium-3-yl)carbonyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-2-yl]propanamide Openeye Name: 2-methyl-N-[(6S)-6-methyl-5-(1-octylpyridin-1-ium-3-carbonyl)-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]propanamide CAS Name: 2-methyl-N-[(6S)-6-methyl-5-[(1-octyl-3-pyridin-1-iumyl)-oxomethyl]-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]propanamide IUPAC Name: 2-methyl-N-[(6S)-6-methyl-5-(1-octylpyridin-1-ium-3-carbonyl)-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]propanamide Traditional Name: N-[(6S)-4-keto-6-methyl-5-(1-octylpyridin-1-ium-3-carbonyl)-1,6,7,8-tetrahydropteridin-2-yl]-2-methyl-propionamide Formula: C25H37N6O3+ MolecularWeight: 469.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2C(CNC3=C2C(=O)N=C(N3)NC(=O)C(C)C)C

Isomeric SMILES

CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2[C@H](CNC3=C2C(=O)N=C(N3)NC(=O)C(C)C)C

InChI

InChI=1S/C25H36N6O3/c1-5-6-7-8-9-10-13-30-14-11-12-19(16-30)24(34)31-18(4)15-26-21-20(31)23(33)29-25(27-21)28-22(32)17(2)3/h11-12,14,16-18H,5-10,13,15H2,1-4H3,(H2-,26,27,28,29,32,33)/p+1/t18-/m0/s1