4-iodanyl-1-piperazin-4-ium-1-yl-isoquinoline

Systemtic Name: 4-iodanyl-1-piperazin-4-ium-1-yl-isoquinoline Openeye Name: 4-iodo-1-piperazin-4-ium-1-yl-isoquinoline CAS Name: 4-iodo-1-(1-piperazin-4-iumyl)isoquinoline IUPAC Name: 4-iodo-1-piperazin-4-ium-1-ylisoquinoline Traditional Name: 4-iodo-1-piperazin-4-ium-1-yl-isoquinoline Formula: C13H15IN3+ MolecularWeight: 340.18277

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=C(C3=CC=CC=C32)I

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=C(C3=CC=CC=C32)I

InChI

InChI=1S/C13H14IN3/c14-12-9-16-13(17-7-5-15-6-8-17)11-4-2-1-3-10(11)12/h1-4,9,15H,5-8H2/p+1