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

Systemtic Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium CAS Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4S/c1-16(18-8-5-9-19(14-18)22(23)24)20-10-12-21(13-11-20)27(25,26)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3/p+1/t16-/m1/s1