5-ethanoyl-2,4-dimethyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide

Systemtic Name: 5-ethanoyl-2,4-dimethyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide Openeye Name: 5-acetyl-2,4-dimethyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide CAS Name: 5-acetyl-2,4-dimethyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-1H-pyrrole-3-carboxamide IUPAC Name: 5-acetyl-2,4-dimethyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide Traditional Name: 5-acetyl-2,4-dimethyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3)C)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)C)C(=O)C

InChI

InChI=1S/C20H26N4O2/c1-13-18(14(2)22-19(13)15(3)25)20(26)23-17-8-6-10-24(12-17)11-16-7-4-5-9-21-16/h4-5,7,9,17,22H,6,8,10-12H2,1-3H3,(H,23,26)/p+1/t17-/m0/s1