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

Systemtic Name: (3-aminophenyl)sulfonyl-(2-methylpropyl)-(phenylmethyl)-propyl-azanium Openeye Name: (3-aminophenyl)sulfonyl-benzyl-isobutyl-propyl-ammonium CAS Name: (3-aminophenyl)sulfonyl-(2-methylpropyl)-(phenylmethyl)-propylammonium IUPAC Name: (3-aminophenyl)sulfonyl-benzyl-(2-methylpropyl)-propylazanium Traditional Name: (3-aminophenyl)sulfonyl-benzyl-isobutyl-propyl-ammonium Formula: C20H29N2O2S+ MolecularWeight: 361.52146

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N2O2S/c1-4-13-22(15-17(2)3,16-18-9-6-5-7-10-18)25(23,24)20-12-8-11-19(21)14-20/h5-12,14,17H,4,13,15-16,21H2,1-3H3/q+1