N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)NC(=O)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=C3)NC(=O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H30N4O/c1-22(2)13-19(24-21(27)16-25-11-7-4-8-12-25)18-15-23-26(20(18)14-22)17-9-5-3-6-10-17/h3,5-6,9-10,15,19H,4,7-8,11-14,16H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1