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

Systemtic Name: 2-indazol-2-yl-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 2-indazol-2-yl-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 2-(2-indazolyl)-1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 2-indazol-2-yl-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 2-indazol-2-yl-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]ethanone Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)CN4C=C5C=CC=CC5=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CN4C=C5C=CC=CC5=N4

InChI

InChI=1S/C25H31N5O2/c1-32-23-10-8-21(9-11-23)27-13-15-28(16-14-27)22-6-4-12-29(18-22)25(31)19-30-17-20-5-2-3-7-24(20)26-30/h2-3,5,7-11,17,22H,4,6,12-16,18-19H2,1H3/p+1/t22-/m0/s1