N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-oxidanylideneimidazolidin-1-yl)benzamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-oxidanylideneimidazolidin-1-yl)benzamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-(2-oxo-1-imidazolidinyl)benzamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-ketoimidazolidin-1-yl)benzamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC(=CC=C3)N4CCNC4=O

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC(=CC=C3)N4CCNC4=O

InChI

InChI=1S/C22H32N4O2/c27-21(17-7-5-11-20(15-17)26-14-12-23-22(26)28)24-18-8-6-13-25(16-18)19-9-3-1-2-4-10-19/h5,7,11,15,18-19H,1-4,6,8-10,12-14,16H2,(H,23,28)(H,24,27)/p+1/t18-/m0/s1