1-(4-phenethylpiperazin-4-ium-1-yl)-3-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-3-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-isopropyl-1-(4-phenethylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-phenethyl-1-piperazin-4-iumyl)-3-propan-2-yl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-isopropyl-1-(4-phenethylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H30N5+ MolecularWeight: 424.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CCC5=CC=CC=C5)C#N

Isomeric SMILES

CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CCC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H29N5/c1-20(2)22-18-26(32-25-11-7-6-10-24(25)29-27(32)23(22)19-28)31-16-14-30(15-17-31)13-12-21-8-4-3-5-9-21/h3-11,18,20H,12-17H2,1-2H3/p+1