6,7-dimethoxy-2-piperazin-4-ium-1-yl-quinazolin-3-ium-4-amine

Systemtic Name: 6,7-dimethoxy-2-piperazin-4-ium-1-yl-quinazolin-3-ium-4-amine Openeye Name: 6,7-dimethoxy-2-piperazin-4-ium-1-yl-quinazolin-3-ium-4-amine CAS Name: 6,7-dimethoxy-2-(1-piperazin-4-iumyl)-4-quinazolin-3-iumamine IUPAC Name: 6,7-dimethoxy-2-piperazin-4-ium-1-ylquinazolin-3-ium-4-amine Traditional Name: (6,7-dimethoxy-2-piperazin-4-ium-1-yl-quinazolin-3-ium-4-yl)amine Formula: C14H21N5O2+2 MolecularWeight: 291.34884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[NH+]C(=N2)N3CC[NH2+]CC3)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[NH+]C(=N2)N3CC[NH2+]CC3)N)OC

InChI

InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)/p+2