4-methyl-3-(2-oxidanylideneimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-methyl-3-(2-oxidanylideneimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 4-methyl-3-(2-oxo-1-imidazolidinyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-(2-ketoimidazolidin-1-yl)-4-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3)N4CCNC4=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)N4CCNC4=O

InChI

InChI=1S/C22H27N5O2/c1-16-7-8-17(13-20(16)27-12-10-24-22(27)29)21(28)25-19-6-4-11-26(15-19)14-18-5-2-3-9-23-18/h2-3,5,7-9,13,19H,4,6,10-12,14-15H2,1H3,(H,24,29)(H,25,28)/p+1/t19-/m0/s1