1-(4-methylpiperazin-4-ium-1-yl)isoquinolin-2-ium-3-amine

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)isoquinolin-2-ium-3-amine Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)isoquinolin-2-ium-3-amine CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-isoquinolin-2-iumamine IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)isoquinolin-2-ium-3-amine Traditional Name: [1-(4-methylpiperazin-4-ium-1-yl)isoquinolin-2-ium-3-yl]amine Formula: C14H20N4+2 MolecularWeight: 244.3354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C(=CC3=CC=CC=C32)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C(=CC3=CC=CC=C32)N

InChI

InChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)14-12-5-3-2-4-11(12)10-13(15)16-14/h2-5,10H,6-9H2,1H3,(H2,15,16)/p+2