N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pteridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pteridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pteridin-4-yl-piperidine-4-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-(4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pteridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pteridin-4-yl-isonipecotamide Formula: C19H28N7O+ MolecularWeight: 370.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2CCN(CC2)C3=NC=NC4=NC=CN=C43

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2CCN(CC2)C3=NC=NC4=NC=CN=C43

InChI

InChI=1S/C19H27N7O/c1-2-25-9-3-4-15(25)12-22-19(27)14-5-10-26(11-6-14)18-16-17(23-13-24-18)21-8-7-20-16/h7-8,13-15H,2-6,9-12H2,1H3,(H,22,27)/p+1/t15-/m0/s1