(5-methyl-1H-indazol-3-yl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: (5-methyl-1H-indazol-3-yl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: (5-methyl-1H-indazol-3-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: (5-methyl-1H-indazol-3-yl)-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (5-methyl-1H-indazol-3-yl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: (5-methyl-1H-indazol-3-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NN=C2C(=O)N3CCCC(C3)[NH+]4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC2=C(C=C1)NN=C2C(=O)N3CCC[C@@H](C3)[NH+]4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C25H31N5O/c1-18-9-10-22-21(16-18)24(27-26-22)25(31)30-11-5-7-20(17-30)28-12-14-29(15-13-28)23-8-4-3-6-19(23)2/h3-4,6,8-10,16,20H,5,7,11-15,17H2,1-2H3,(H,26,27)/p+1/t20-/m0/s1