2-indazol-2-yl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-indazol-2-yl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-indazol-2-yl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]ethanone CAS Name: 2-(2-indazolyl)-1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]ethanone IUPAC Name: 2-indazol-2-yl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Traditional Name: 2-indazol-2-yl-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]ethanone Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C=C3C=CC=CC3=N2)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C=C3C=CC=CC3=N2)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H29N5O/c30-24(19-29-17-20-7-4-5-11-23(20)25-29)28-12-6-10-22(18-28)27-15-13-26(14-16-27)21-8-2-1-3-9-21/h1-5,7-9,11,17,22H,6,10,12-16,18-19H2/p+1/t22-/m0/s1