4-nitro-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenol

Systemtic Name: 4-nitro-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenol Openeye Name: 4-nitro-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenol CAS Name: 4-nitro-2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]phenol IUPAC Name: 4-nitro-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenol Traditional Name: 4-nitro-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenol Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3/c25-17-8-7-13(24(26)27)11-16(17)21-19-14-5-1-2-6-15(14)20-18(22-19)12-23-9-3-4-10-23/h1-2,5-8,11,25H,3-4,9-10,12H2,(H,20,21,22)/p+1