N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-indazole-3-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-indazole-3-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1H-indazole-3-carboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-1H-indazole-3-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-indazole-3-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NNC3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=NNC3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O3/c1-27-16-8-6-15(7-9-16)19(25-10-12-28-13-11-25)14-22-21(26)20-17-4-2-3-5-18(17)23-24-20/h2-9,19H,10-14H2,1H3,(H,22,26)(H,23,24)/p+1/t19-/m1/s1