1-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-methyl-2-oxidanylidene-1-(1-propylindol-3-yl)imidazol-1-ium-4-carbonitrile

Systemtic Name: 1-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-methyl-2-oxidanylidene-1-(1-propylindol-3-yl)imidazol-1-ium-4-carbonitrile Openeye Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-3-methyl-2-oxo-1-(1-propylindol-3-yl)imidazol-1-ium-4-carbonitrile CAS Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-3-methyl-2-oxo-1-(1-propyl-3-indolyl)-4-imidazol-1-iumcarbonitrile IUPAC Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-3-methyl-2-oxo-1-(1-propylindol-3-yl)imidazol-1-ium-4-carbonitrile Traditional Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-2-keto-3-methyl-1-(1-propylindol-3-yl)-4-imidazolin-1-ium-4-carbonitrile Formula: C28H31N6O+ MolecularWeight: 467.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)[N+]3(C=C(N(C3=O)C)C#N)C4=C(NC5=CC=CC=C54)CCCCN

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)[N+]3(C=C(N(C3=O)C)C#N)C4=C(NC5=CC=CC=C54)CCCCN

InChI

InChI=1S/C28H31N6O/c1-3-16-33-18-26(22-11-5-7-14-25(22)33)34(19-20(17-30)32(2)28(34)35)27-21-10-4-6-12-23(21)31-24(27)13-8-9-15-29/h4-7,10-12,14,18-19,31H,3,8-9,13,15-16,29H2,1-2H3/q+1