4-chloranyl-N-(3-imidazol-1-ylpropyl)-N-propan-2-yl-aniline; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 4-chloranyl-N-(3-imidazol-1-ylpropyl)-N-propan-2-yl-aniline; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 4-chloro-N-(3-imidazol-1-ylpropyl)-N-isopropyl-aniline citrate CAS Name: 4-chloro-N-[3-(1-imidazolyl)propyl]-N-propan-2-ylaniline; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 4-chloro-N-(3-imidazol-1-ylpropyl)-N-propan-2-ylaniline; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: (4-chlorophenyl)-(3-imidazol-1-ylpropyl)-isopropyl-amine citrate Formula: C21H25ClN3O7-3 MolecularWeight: 466.8921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCN1C=CN=C1)C2=CC=C(C=C2)Cl.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(C)N(CCCN1C=CN=C1)C2=CC=C(C=C2)Cl.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C15H20ClN3.C6H8O7/c1-13(2)19(15-6-4-14(16)5-7-15)10-3-9-18-11-8-17-12-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-8,11-13H,3,9-10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3