3-cycloheptyl-3-(4-methoxyphenoxy)-N-methyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-cycloheptyl-3-(4-methoxyphenoxy)-N-methyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-cycloheptyl-3-(4-methoxyphenoxy)-N-methyl-propan-1-amine citrate CAS Name: 3-cycloheptyl-3-(4-methoxyphenoxy)-N-methyl-1-propanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-cycloheptyl-3-(4-methoxyphenoxy)-N-methylpropan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: [3-cycloheptyl-3-(4-methoxyphenoxy)propyl]-methyl-amine citrate Formula: C24H34NO9-3 MolecularWeight: 480.52806

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1CCCCCC1)OC2=CC=C(C=C2)OC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CNCCC(C1CCCCCC1)OC2=CC=C(C=C2)OC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C18H29NO2.C6H8O7/c1-19-14-13-18(15-7-5-3-4-6-8-15)21-17-11-9-16(20-2)10-12-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-12,15,18-19H,3-8,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3