N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine Openeye Name: N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine CAS Name: N-(2,4-dimethoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-quinazolinamine IUPAC Name: N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine Traditional Name: (2,4-dimethoxyphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]amine Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C21H25N5O2/c1-25-10-12-26(13-11-25)21-23-17-7-5-4-6-16(17)20(24-21)22-18-9-8-15(27-2)14-19(18)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,23,24)/p+1