N-cyclopentyl-2-piperazin-4-ium-1-yl-quinazolin-3-ium-4-amine

Systemtic Name: N-cyclopentyl-2-piperazin-4-ium-1-yl-quinazolin-3-ium-4-amine Openeye Name: N-cyclopentyl-2-piperazin-4-ium-1-yl-quinazolin-3-ium-4-amine CAS Name: N-cyclopentyl-2-(1-piperazin-4-iumyl)-4-quinazolin-3-iumamine IUPAC Name: N-cyclopentyl-2-piperazin-4-ium-1-ylquinazolin-3-ium-4-amine Traditional Name: cyclopentyl-(2-piperazin-4-ium-1-ylquinazolin-3-ium-4-yl)amine Formula: C17H25N5+2 MolecularWeight: 299.4139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=[NH+]C(=NC3=CC=CC=C32)N4CC[NH2+]CC4

Isomeric SMILES

C1CCC(C1)NC2=[NH+]C(=NC3=CC=CC=C32)N4CC[NH2+]CC4

InChI

InChI=1S/C17H23N5/c1-2-6-13(5-1)19-16-14-7-3-4-8-15(14)20-17(21-16)22-11-9-18-10-12-22/h3-4,7-8,13,18H,1-2,5-6,9-12H2,(H,19,20,21)/p+2