N,N-dimethyl-6-(1-phenylindol-3-yl)sulfanyl-hexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N,N-dimethyl-6-(1-phenylindol-3-yl)sulfanyl-hexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N,N-dimethyl-6-(1-phenylindol-3-yl)sulfanyl-hexan-1-amine citrate CAS Name: N,N-dimethyl-6-[(1-phenyl-3-indolyl)thio]-1-hexanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: N,N-dimethyl-6-(1-phenylindol-3-yl)sulfanylhexan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: dimethyl-[6-[(1-phenylindol-3-yl)thio]hexyl]amine citrate Formula: C28H33N2O7S-3 MolecularWeight: 541.63582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCSC1=CN(C2=CC=CC=C21)C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(C)CCCCCCSC1=CN(C2=CC=CC=C21)C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C22H28N2S.C6H8O7/c1-23(2)16-10-3-4-11-17-25-22-18-24(19-12-6-5-7-13-19)21-15-9-8-14-20(21)22;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9,12-15,18H,3-4,10-11,16-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3