(2-methoxyphenyl)-methyl-[4-(6-propylnaphthalen-1-yl)butyl]azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: (2-methoxyphenyl)-methyl-[4-(6-propylnaphthalen-1-yl)butyl]azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: (2-methoxyphenyl)-methyl-[4-(6-propyl-1-naphthyl)butyl]ammonium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; (2-methoxyphenyl)-methyl-[4-(6-propyl-1-naphthalenyl)butyl]ammonium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; (2-methoxyphenyl)-methyl-[4-(6-propylnaphthalen-1-yl)butyl]azanium Traditional Name: (2-methoxyphenyl)-methyl-[4-(6-propyl-1-naphthyl)butyl]ammonium citrate Formula: C31H37NO8-2 MolecularWeight: 551.62738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C(=CC=C2)CCCC[NH+](C)C3=CC=CC=C3OC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCC1=CC2=C(C=C1)C(=CC=C2)CCCC[NH+](C)C3=CC=CC=C3OC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C25H31NO.C6H8O7/c1-4-10-20-16-17-23-21(12-9-13-22(23)19-20)11-7-8-18-26(2)24-14-5-6-15-25(24)27-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9,12-17,19H,4,7-8,10-11,18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2