2-methylpropyl-(3-nitrophenyl)sulfonyl-(phenylmethyl)-propyl-azanium

Systemtic Name: 2-methylpropyl-(3-nitrophenyl)sulfonyl-(phenylmethyl)-propyl-azanium Openeye Name: benzyl-isobutyl-(3-nitrophenyl)sulfonyl-propyl-ammonium CAS Name: 2-methylpropyl-(3-nitrophenyl)sulfonyl-(phenylmethyl)-propylammonium IUPAC Name: benzyl-(2-methylpropyl)-(3-nitrophenyl)sulfonyl-propylazanium Traditional Name: benzyl-isobutyl-(3-nitrophenyl)sulfonyl-propyl-ammonium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC1=CC=CC=C1)(CC(C)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC[N+](CC1=CC=CC=C1)(CC(C)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N2O4S/c1-4-13-22(15-17(2)3,16-18-9-6-5-7-10-18)27(25,26)20-12-8-11-19(14-20)21(23)24/h5-12,14,17H,4,13,15-16H2,1-3H3/q+1