1-(4-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-(4-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-nosyl-4-(2-phenoxyethyl)piperazin-4-ium Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c22-21(23)16-6-8-18(9-7-16)27(24,25)20-12-10-19(11-13-20)14-15-26-17-4-2-1-3-5-17/h1-9H,10-15H2/p+1