1-(3-nitropyridin-1-ium-2-yl)-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(2-phenoxyethyl)piperazin-4-ium Formula: C17H22N4O3+2 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c22-21(23)16-7-4-8-18-17(16)20-11-9-19(10-12-20)13-14-24-15-5-2-1-3-6-15/h1-8H,9-14H2/p+2