2-methyl-3-[[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline

Systemtic Name: 2-methyl-3-[[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Openeye Name: 2-[[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline CAS Name: 2-methyl-3-[[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]quinoxaline IUPAC Name: 2-[[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-3-methylquinoxaline Traditional Name: 2-[[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline Formula: C25H28N5+ MolecularWeight: 398.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C4=C(C=NN4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C4=C(C=NN4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5/c1-18-24(28-23-12-6-5-11-22(23)27-18)17-30-13-7-10-20(16-30)25-21(15-26-29-25)14-19-8-3-2-4-9-19/h2-6,8-9,11-12,15,20H,7,10,13-14,16-17H2,1H3,(H,26,29)/p+1/t20-/m0/s1