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

Systemtic Name: N-cyclohexyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Openeye Name: N-cyclohexyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine CAS Name: N-cyclohexyl-2-(4-methyl-1-piperazin-4-iumyl)-4-quinazolin-3-iumamine IUPAC Name: N-cyclohexyl-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Traditional Name: cyclohexyl-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]amine Formula: C19H29N5+2 MolecularWeight: 327.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4CCCCC4

InChI

InChI=1S/C19H27N5/c1-23-11-13-24(14-12-23)19-21-17-10-6-5-9-16(17)18(22-19)20-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,21,22)/p+2