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

Systemtic Name: N-[4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[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=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

Isomeric SMILES

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

InChI

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