N-(furan-2-ylmethyl)-2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]quinazolin-4-amine

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]quinazolin-4-amine Openeye Name: N-(2-furylmethyl)-2-[4-(2-methylallyl)piperazin-4-ium-1-yl]quinazolin-4-amine CAS Name: N-(2-furanylmethyl)-2-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-4-quinazolinamine IUPAC Name: N-(furan-2-ylmethyl)-2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]quinazolin-4-amine Traditional Name: 2-furfuryl-[2-[4-(2-methylallyl)piperazin-4-ium-1-yl]quinazolin-4-yl]amine Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4

InChI

InChI=1S/C21H25N5O/c1-16(2)15-25-9-11-26(12-10-25)21-23-19-8-4-3-7-18(19)20(24-21)22-14-17-6-5-13-27-17/h3-8,13H,1,9-12,14-15H2,2H3,(H,22,23,24)/p+1