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

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methyl-1H-indole nitrate Openeye Name: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methyl-1H-indole nitrate CAS Name: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methyl-1H-indole nitrate IUPAC Name: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methyl-1H-indole nitrate Traditional Name: 3-(2-imidazolin-1-ium-2-ylmethyl)-5-methoxy-2-methyl-1H-indole nitrate Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC)CC3=NCC[NH2+]3.[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC)CC3=NCC[NH2+]3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C14H17N3O.NO3/c1-9-11(8-14-15-5-6-16-14)12-7-10(18-2)3-4-13(12)17-9;2-1(3)4/h3-4,7,17H,5-6,8H2,1-2H3,(H,15,16);/q;-1/p+1