1-[(4-methoxyphenyl)methyl]-4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(5-nitro-2-pyridyl)-1,4-diazepan-1-ium CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(5-nitropyridin-2-yl)-1,4-diazepan-1-ium Traditional Name: 1-(5-nitro-2-pyridyl)-4-p-anisyl-1,4-diazepan-4-ium Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

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