4-methylsulfonyl-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2)[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC[C@@H](C2=CC=CC=C2)[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-27(25,26)16-9-10-17(18(13-16)22(23)24)20-14-19(21-11-5-6-12-21)15-7-3-2-4-8-15/h2-4,7-10,13,19-20H,5-6,11-12,14H2,1H3/p+1/t19-/m0/s1