2-indazol-2-yl-N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]ethanamide

Systemtic Name: 2-indazol-2-yl-N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]ethanamide Openeye Name: 2-indazol-2-yl-N-methyl-N-[[(3S)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]acetamide CAS Name: 2-(2-indazolyl)-N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]acetamide IUPAC Name: 2-indazol-2-yl-N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]acetamide Traditional Name: 2-indazol-2-yl-N-methyl-N-[[(3S)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]acetamide Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)CN3C=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@H](C2)CN(C)C(=O)CN3C=C4C=CC=CC4=N3

InChI

InChI=1S/C25H32N4O/c1-20-8-3-4-10-22(20)13-15-28-14-7-9-21(17-28)16-27(2)25(30)19-29-18-23-11-5-6-12-24(23)26-29/h3-6,8,10-12,18,21H,7,9,13-17,19H2,1-2H3/p+1/t21-/m0/s1