4-methylbenzenesulfonate; trimethyl-[2-oxidanyl-3-(pentylamino)propyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[2-oxidanyl-3-(pentylamino)propyl]azanium Openeye Name: [2-hydroxy-3-(pentylamino)propyl]-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [2-hydroxy-3-(pentylamino)propyl]-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [2-hydroxy-3-(pentylamino)propyl]-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: [3-(amylamino)-2-hydroxy-propyl]-trimethyl-ammonium tosylate Formula: C18H34N2O4S MolecularWeight: 374.53856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC(C[N+](C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCNCC(C[N+](C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H27N2O.C7H8O3S/c1-5-6-7-8-12-9-11(14)10-13(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,14H,5-10H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1