3-(dibutylamino)propyl 4-azanylbenzoate sulfate

Systemtic Name: 3-(dibutylamino)propyl 4-azanylbenzoate sulfate Openeye Name: 3-(dibutylamino)propyl 4-aminobenzoate sulfate CAS Name: 4-aminobenzoic acid 3-(dibutylamino)propyl ester sulfate IUPAC Name: 3-(dibutylamino)propyl 4-aminobenzoate sulfate Traditional Name: 4-aminobenzoic acid 3-(dibutylamino)propyl ester sulfate Formula: C18H30N2O6S-2 MolecularWeight: 402.5056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C18H30N2O2.H2O4S/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16;1-5(2,3)4/h8-11H,3-7,12-15,19H2,1-2H3;(H2,1,2,3,4)/p-2