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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CCC5=CC=CC=C5)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CCC5=CC=CC=C5)C#N

InChI

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