N-[3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]acetamide CAS Name: N-[3-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]phenyl]acetamide IUPAC Name: N-[3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]acetamide Traditional Name: N-[3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]acetamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

InChI

InChI=1S/C21H23N5O/c1-15(27)22-16-7-6-8-17(13-16)23-21-18-9-2-3-10-19(18)24-20(25-21)14-26-11-4-5-12-26/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,22,27)(H,23,24,25)/p+1