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

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-isopropyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-propan-2-yl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-isopropyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C(C)C

InChI

InChI=1S/C21H25N5/c1-4-24-9-11-25(12-10-24)20-13-16(15(2)3)17(14-22)21-23-18-7-5-6-8-19(18)26(20)21/h5-8,13,15H,4,9-12H2,1-3H3/p+1