N-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-quinazolin-4-amine

Systemtic Name: N-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-quinazolin-4-amine Openeye Name: N-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-quinazolin-4-amine CAS Name: N-(4-methoxyphenyl)-2-(1-piperazin-4-iumyl)-4-quinazolinamine IUPAC Name: N-(4-methoxyphenyl)-2-piperazin-4-ium-1-ylquinazolin-4-amine Traditional Name: (4-methoxyphenyl)-(2-piperazin-4-ium-1-ylquinazolin-4-yl)amine Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CC[NH2+]CC4

InChI

InChI=1S/C19H21N5O/c1-25-15-8-6-14(7-9-15)21-18-16-4-2-3-5-17(16)22-19(23-18)24-12-10-20-11-13-24/h2-9,20H,10-13H2,1H3,(H,21,22,23)/p+1