1-(3-methoxyphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(3-methoxyphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(3-methoxyphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(3-methoxyphenyl)-4-(5-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3-methoxyphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(3-methoxyphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-23-15-4-2-3-13(11-15)18-7-9-19(10-8-18)16-6-5-14(12-17-16)20(21)22/h2-6,11-12H,7-10H2,1H3/p+1