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

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c23-22(24)18-10-4-5-11-19(18)27(25,26)21-15-13-20(14-16-21)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2/p+1