4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[5-nitro-2-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)phenyl]sulfonylmorpholine Formula: C23H31N4O6S+ MolecularWeight: 491.58044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H30N4O6S/c1-32-21-6-3-19(4-7-21)18-24-9-2-10-25(12-11-24)22-8-5-20(27(28)29)17-23(22)34(30,31)26-13-15-33-16-14-26/h3-8,17H,2,9-16,18H2,1H3/p+1