N-methyl-1'-thiophen-3-yl-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-methyl-1'-thiophen-3-yl-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-methyl-1'-(3-thienyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-1'-(3-thiophenyl)-1'-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]amine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-1'-thiophen-3-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine Traditional Name: citric acid; methyl-[1'-(3-thienyl)spiro[4,9-dihydro-3H-pyran[3,4-b]indole-1,4'-cyclohexane]-1'-yl]amine Formula: C27H32N2O8S MolecularWeight: 544.61658

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Descriptors Computed from Structure

Canonical SMILES:

CNC1(CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3)C5=CSC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CNC1(CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3)C5=CSC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H24N2OS.C6H8O7/c1-22-20(15-7-13-25-14-15)8-10-21(11-9-20)19-17(6-12-24-21)16-4-2-3-5-18(16)23-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-5,7,13-14,22-23H,6,8-12H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)