1-(3-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-(3-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-(3-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-(3-nitrophenyl)sulfonyl-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=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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