N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-indazol-1-yl-ethanamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-indazol-1-yl-ethanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-indazol-1-yl-acetamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2-(1-indazolyl)acetamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-indazol-1-ylacetamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-indazol-1-yl-acetamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CN3C4=CC=CC=C4C=N3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CN3C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H30N4O/c26-21(16-25-20-12-6-5-8-17(20)14-22-25)23-18-9-7-13-24(15-18)19-10-3-1-2-4-11-19/h5-6,8,12,14,18-19H,1-4,7,9-11,13,15-16H2,(H,23,26)/p+1/t18-/m0/s1