N-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(2R)-3-ethyl-2-(1-pyrrolidin-1-iumyl)pentyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-ylpentyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CCC(CC)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C18H29N3O4S/c1-4-14(5-2)18(20-10-6-7-11-20)13-19-16-9-8-15(26(3,24)25)12-17(16)21(22)23/h8-9,12,14,18-19H,4-7,10-11,13H2,1-3H3/p+1/t18-/m0/s1