2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2-nitro-5-piperazin-4-ium-1-ylphenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-3,4-dihydro-1H-isoquinoline Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CC[NH2+]CC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CC[NH2+]CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O2/c24-23(25)18-6-5-17(21-11-8-20-9-12-21)13-19(18)22-10-7-15-3-1-2-4-16(15)14-22/h1-6,13,20H,7-12,14H2/p+1