1-(4-ethoxyphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-3-28-19-7-9-20(10-8-19)29(26,27)22-13-11-21(12-14-22)16(2)17-5-4-6-18(15-17)23(24)25/h4-10,15-16H,3,11-14H2,1-2H3/p+1/t16-/m1/s1