1-(butan-2-ylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-(butan-2-ylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-isopropyl-1-(sec-butylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(butan-2-ylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(butan-2-ylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-isopropyl-1-(sec-butylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C19H23N4+ MolecularWeight: 307.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)C(C)C)C#N

Isomeric SMILES

CCC(C)NC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)C(C)C)C#N

InChI

InChI=1S/C19H22N4/c1-5-13(4)21-18-10-14(12(2)3)15(11-20)19-22-16-8-6-7-9-17(16)23(18)19/h6-10,12-13H,5H2,1-4H3,(H,21,22)/p+1