3-azanylpropyl 4-azanyl-2,3-dibutyl-benzoate sulfate

Systemtic Name: 3-azanylpropyl 4-azanyl-2,3-dibutyl-benzoate sulfate Openeye Name: 3-aminopropyl 4-amino-2,3-dibutyl-benzoate sulfate CAS Name: 4-amino-2,3-dibutylbenzoic acid 3-aminopropyl ester sulfate IUPAC Name: 3-aminopropyl 4-amino-2,3-dibutylbenzoate sulfate Traditional Name: 4-amino-2,3-dibutyl-benzoic acid 3-aminopropyl ester sulfate Formula: C18H30N2O6S-2 MolecularWeight: 402.5056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1CCCC)N)C(=O)OCCCN.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1CCCC)N)C(=O)OCCCN.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C18H30N2O2.H2O4S/c1-3-5-8-14-15(9-6-4-2)17(20)11-10-16(14)18(21)22-13-7-12-19;1-5(2,3)4/h10-11H,3-9,12-13,19-20H2,1-2H3;(H2,1,2,3,4)/p-2