N,N-diethyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine

Systemtic Name: N,N-diethyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Openeye Name: N,N-diethyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine CAS Name: N,N-diethyl-2-(4-methyl-1-piperazin-4-iumyl)-4-quinazolin-3-iumamine IUPAC Name: N,N-diethyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Traditional Name: diethyl-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]amine Formula: C17H27N5+2 MolecularWeight: 301.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=[NH+]C(=NC2=CC=CC=C21)N3CC[NH+](CC3)C

Isomeric SMILES

CCN(CC)C1=[NH+]C(=NC2=CC=CC=C21)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H25N5/c1-4-21(5-2)16-14-8-6-7-9-15(14)18-17(19-16)22-12-10-20(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3/p+2