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

Systemtic Name: N-cyclopentyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Openeye Name: N-cyclopentyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine CAS Name: N-cyclopentyl-2-(4-methyl-1-piperazin-4-iumyl)-4-quinazolin-3-iumamine IUPAC Name: N-cyclopentyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Traditional Name: cyclopentyl-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]amine Formula: C18H27N5+2 MolecularWeight: 313.44048

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4CCCC4

InChI

InChI=1S/C18H25N5/c1-22-10-12-23(13-11-22)18-20-16-9-5-4-8-15(16)17(21-18)19-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,20,21)/p+2