N4-[2-(4-phenoxyphenyl)ethyl]-1,2-dihydroquinazolin-3-ium-4,6-diamine

Systemtic Name: N4-[2-(4-phenoxyphenyl)ethyl]-1,2-dihydroquinazolin-3-ium-4,6-diamine Openeye Name: N4-[2-(4-phenoxyphenyl)ethyl]-1,2-dihydroquinazolin-3-ium-4,6-diamine CAS Name: N4-[2-(4-phenoxyphenyl)ethyl]-1,2-dihydroquinazolin-3-ium-4,6-diamine IUPAC Name: 4-N-[2-(4-phenoxyphenyl)ethyl]-1,2-dihydroquinazolin-3-ium-4,6-diamine Traditional Name: (6-amino-1,2-dihydroquinazolin-3-ium-4-yl)-[2-(4-phenoxyphenyl)ethyl]amine Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(C=C(C=C2)N)C(=[NH+]1)NCCC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1NC2=C(C=C(C=C2)N)C(=[NH+]1)NCCC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14,25H,12-13,15,23H2,(H,24,26)/p+1