1-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-4-oxidanyl-indole-2-carboxamide

Systemtic Name: 1-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 4-hydroxy-1-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]indole-2-carboxamide CAS Name: 4-hydroxy-1-methyl-N-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-2-indolecarboxamide IUPAC Name: 4-hydroxy-1-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]indole-2-carboxamide Traditional Name: 4-hydroxy-1-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]indole-2-carboxamide Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C1C(=O)NCCCN3C=C[N+](=C3)C)C(=CC=C2)O

Isomeric SMILES

CN1C2=C(C=C1C(=O)NCCCN3C=C[N+](=C3)C)C(=CC=C2)O

InChI

InChI=1S/C17H20N4O2/c1-19-9-10-21(12-19)8-4-7-18-17(23)15-11-13-14(20(15)2)5-3-6-16(13)22/h3,5-6,9-12H,4,7-8H2,1-2H3,(H-,18,22,23)/p+1