3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate Openeye Name: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate CAS Name: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate IUPAC Name: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate Traditional Name: 3-(2-imidazolin-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC3=NCC[NH2+]3.[N+](=O)([O-])[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC3=NCC[NH2+]3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C13H15N3O.NO3/c1-17-10-2-3-12-11(7-10)9(8-16-12)6-13-14-4-5-15-13;2-1(3)4/h2-3,7-8,16H,4-6H2,1H3,(H,14,15);/q;-1/p+1