N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Openeye Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide CAS Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumyl]methyl]-1H-indazole-3-carboxamide IUPAC Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Traditional Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCCC(C2)CNC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCC[C@@H](C2)CNC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C24H28N4O2/c1-30-22-13-5-2-9-19(22)10-7-15-28-14-6-8-18(17-28)16-25-24(29)23-20-11-3-4-12-21(20)26-27-23/h2-5,7,9-13,18H,6,8,14-17H2,1H3,(H,25,29)(H,26,27)/p+1/b10-7+/t18-/m1/s1