2-piperazin-4-ium-1-yl-4-(3,4,5-trimethoxyphenyl)quinazoline

Systemtic Name: 2-piperazin-4-ium-1-yl-4-(3,4,5-trimethoxyphenyl)quinazoline Openeye Name: 2-piperazin-4-ium-1-yl-4-(3,4,5-trimethoxyphenyl)quinazoline CAS Name: 2-(1-piperazin-4-iumyl)-4-(3,4,5-trimethoxyphenyl)quinazoline IUPAC Name: 2-piperazin-4-ium-1-yl-4-(3,4,5-trimethoxyphenyl)quinazoline Traditional Name: 2-piperazin-4-ium-1-yl-4-(3,4,5-trimethoxyphenyl)quinazoline Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=NC3=CC=CC=C32)N4CC[NH2+]CC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=NC3=CC=CC=C32)N4CC[NH2+]CC4

InChI

InChI=1S/C21H24N4O3/c1-26-17-12-14(13-18(27-2)20(17)28-3)19-15-6-4-5-7-16(15)23-21(24-19)25-10-8-22-9-11-25/h4-7,12-13,22H,8-11H2,1-3H3/p+1