8-nitro-5-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]isoquinoline IUPAC Name: 8-nitro-5-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]isoquinoline Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c26-25(27)20-2-1-19(17-5-9-22-15-18(17)20)24-13-11-23(12-14-24)10-6-16-3-7-21-8-4-16/h1-5,7-9,15H,6,10-14H2/p+1