4-[4-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-(cyclohexylmethyl)-1-piperazin-4-iumyl]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine Formula: C21H33N4O5S+ MolecularWeight: 453.57552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O5S/c26-25(27)21-16-19(31(28,29)24-12-14-30-15-13-24)6-7-20(21)23-10-8-22(9-11-23)17-18-4-2-1-3-5-18/h6-7,16,18H,1-5,8-15,17H2/p+1