3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzonitrile CAS Name: 3-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]benzonitrile IUPAC Name: 3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzonitrile Traditional Name: 3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzonitrile Formula: C20H20N5+ MolecularWeight: 330.4063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H19N5/c21-13-15-6-5-7-16(12-15)22-20-17-8-1-2-9-18(17)23-19(24-20)14-25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11,14H2,(H,22,23,24)/p+1