3-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-naphthalen-1-yl-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile; ethanoic acid

Systemtic Name: 3-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-naphthalen-1-yl-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile; ethanoic acid Openeye Name: acetic acid; 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(1-naphthyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: acetic acid; 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(1-naphthalenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: acetic acid; 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-naphthalen-1-yl-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: acetic acid; 1-[2-(4-aminobutyl)-1H-indol-3-yl]-2-keto-1-(1-naphthyl)-4-imidazolin-1-ium-4-carbonitrile Formula: C28H28N5O3+ MolecularWeight: 482.55362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C=CC=C2[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCN

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C=CC=C2[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCN

InChI

InChI=1S/C26H23N5O.C2H4O2/c27-15-6-5-13-23-25(21-11-3-4-12-22(21)30-23)31(17-19(16-28)29-26(31)32)24-14-7-9-18-8-1-2-10-20(18)24;1-2(3)4/h1-4,7-12,14,17,30H,5-6,13,15,27H2;1H3,(H,3,4)/p+1