4-[[5-[1-(1-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-yl)-1-oxidanylidene-propan-2-yl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[1-(1-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-yl)-1-oxidanylidene-propan-2-yl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[2-[1-butyl-4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]-1-methyl-2-oxo-ethyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[1-[1-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropan-2-yl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[1-[1-butyl-4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]-1-oxopropan-2-yl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[2-[1-butyl-4-(1-naphthoyl)piperazin-1-ium-1-yl]-2-keto-1-methyl-ethyl]imidazol-1-yl]methyl]benzonitrile Formula: C33H36N5O2+ MolecularWeight: 534.67124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)C(C)C4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)C(C)C4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H36N5O2/c1-3-4-18-38(19-16-36(17-20-38)32(39)30-11-7-9-28-8-5-6-10-29(28)30)33(40)25(2)31-22-35-24-37(31)23-27-14-12-26(21-34)13-15-27/h5-15,22,24-25H,3-4,16-20,23H2,1-2H3/q+1