dimethyl-[4-[4-(phenylmethyl)phenyl]butyl]-(4-sulfobutyl)azanium

Systemtic Name: dimethyl-[4-[4-(phenylmethyl)phenyl]butyl]-(4-sulfobutyl)azanium Openeye Name: 4-(4-benzylphenyl)butyl-dimethyl-(4-sulfobutyl)ammonium CAS Name: dimethyl-[4-[4-(phenylmethyl)phenyl]butyl]-(4-sulfobutyl)ammonium IUPAC Name: 4-(4-benzylphenyl)butyl-dimethyl-(4-sulfobutyl)azanium Traditional Name: 4-(4-benzylphenyl)butyl-dimethyl-(4-sulfobutyl)ammonium Formula: C23H34NO3S+ MolecularWeight: 404.58596

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCC1=CC=C(C=C1)CC2=CC=CC=C2)CCCCS(=O)(=O)O

Isomeric SMILES

C[N+](C)(CCCCC1=CC=C(C=C1)CC2=CC=CC=C2)CCCCS(=O)(=O)O

InChI

InChI=1S/C23H33NO3S/c1-24(2,18-8-9-19-28(25,26)27)17-7-6-10-21-13-15-23(16-14-21)20-22-11-4-3-5-12-22/h3-5,11-16H,6-10,17-20H2,1-2H3/p+1