4-[1-(4-aminophenyl)pyrrolidin-3-yl]butyl-dimethyl-azanium; methyl hydrogen sulfate

Systemtic Name: 4-[1-(4-aminophenyl)pyrrolidin-3-yl]butyl-dimethyl-azanium; methyl hydrogen sulfate Openeye Name: 4-[1-(4-aminophenyl)pyrrolidin-3-yl]butyl-dimethyl-ammonium; methyl hydrogen sulfate CAS Name: 4-[1-(4-aminophenyl)-3-pyrrolidinyl]butyl-dimethylammonium; sulfuric acid methyl ester IUPAC Name: 4-[1-(4-aminophenyl)pyrrolidin-3-yl]butyl-dimethylazanium; methyl hydrogen sulfate Traditional Name: 4-[1-(4-aminophenyl)pyrrolidin-3-yl]butyl-dimethyl-ammonium; sulfuric acid methyl ester Formula: C17H32N3O4S+ MolecularWeight: 374.51868

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCCC1CCN(C1)C2=CC=C(C=C2)N.COS(=O)(=O)O

Isomeric SMILES

C[NH+](C)CCCCC1CCN(C1)C2=CC=C(C=C2)N.COS(=O)(=O)O

InChI

InChI=1S/C16H27N3.CH4O4S/c1-18(2)11-4-3-5-14-10-12-19(13-14)16-8-6-15(17)7-9-16;1-5-6(2,3)4/h6-9,14H,3-5,10-13,17H2,1-2H3;1H3,(H,2,3,4)/p+1