1-[4-[[2-butyl-4-chloranyl-1-(hydroxymethyl)imidazol-1-ium-1-yl]methyl]phenyl]indole-7-carbonitrile

Systemtic Name: 1-[4-[[2-butyl-4-chloranyl-1-(hydroxymethyl)imidazol-1-ium-1-yl]methyl]phenyl]indole-7-carbonitrile Openeye Name: 1-[4-[[2-butyl-4-chloro-1-(hydroxymethyl)imidazol-1-ium-1-yl]methyl]phenyl]indole-7-carbonitrile CAS Name: 1-[4-[[2-butyl-4-chloro-1-(hydroxymethyl)-1-imidazol-1-iumyl]methyl]phenyl]-7-indolecarbonitrile IUPAC Name: 1-[4-[[2-butyl-4-chloro-1-(hydroxymethyl)imidazol-1-ium-1-yl]methyl]phenyl]indole-7-carbonitrile Traditional Name: 1-[4-[(2-butyl-4-chloro-1-methylol-imidazol-1-ium-1-yl)methyl]phenyl]indole-7-carbonitrile Formula: C24H24ClN4O+ MolecularWeight: 419.92656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C[N+]1(CC2=CC=C(C=C2)N3C=CC4=CC=CC(=C43)C#N)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C[N+]1(CC2=CC=C(C=C2)N3C=CC4=CC=CC(=C43)C#N)CO)Cl

InChI

InChI=1S/C24H24ClN4O/c1-2-3-7-23-27-22(25)16-29(23,17-30)15-18-8-10-21(11-9-18)28-13-12-19-5-4-6-20(14-26)24(19)28/h4-6,8-13,16,30H,2-3,7,15,17H2,1H3/q+1