1-[(2-methoxy-5-methyl-phenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-(3-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(2-methoxy-5-methyl-benzyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C18H24N4O3+2 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-14-5-6-17(25-2)15(12-14)13-20-8-10-21(11-9-20)18-16(22(23)24)4-3-7-19-18/h3-7,12H,8-11,13H2,1-2H3/p+2