3-[2-(3-azanylpropyl)-1H-indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-2-one; ethanoic acid

Systemtic Name: 3-[2-(3-azanylpropyl)-1H-indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-2-one; ethanoic acid Openeye Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-2-one CAS Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-2-one IUPAC Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-2-one Traditional Name: acetic acid; 1-[2-(3-aminopropyl)-1H-indol-3-yl]-1-(4-phenoxyphenyl)-4-imidazolin-1-ium-2-one Formula: C28H29N4O4+ MolecularWeight: 485.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]3(C=CNC3=O)C4=C(NC5=CC=CC=C54)CCCN

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]3(C=CNC3=O)C4=C(NC5=CC=CC=C54)CCCN

InChI

InChI=1S/C26H24N4O2.C2H4O2/c27-16-6-11-24-25(22-9-4-5-10-23(22)29-24)30(18-17-28-26(30)31)19-12-14-21(15-13-19)32-20-7-2-1-3-8-20;1-2(3)4/h1-5,7-10,12-15,17-18,29H,6,11,16,27H2;1H3,(H,3,4)/p+1