[1-(4-chlorophenyl)-4-naphthalen-2-yl-butyl]-methyl-azanium; decanoate

Systemtic Name: [1-(4-chlorophenyl)-4-naphthalen-2-yl-butyl]-methyl-azanium; decanoate Openeye Name: [1-(4-chlorophenyl)-4-(2-naphthyl)butyl]-methyl-ammonium; decanoate CAS Name: [1-(4-chlorophenyl)-4-(2-naphthalenyl)butyl]-methylammonium; decanoate IUPAC Name: [1-(4-chlorophenyl)-4-naphthalen-2-ylbutyl]-methylazanium; decanoate Traditional Name: caprate; [1-(4-chlorophenyl)-4-(2-naphthyl)butyl]-methyl-ammonium Formula: C31H42ClNO2 MolecularWeight: 496.12368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[O-].C[NH2+]C(CCCC1=CC2=CC=CC=C2C=C1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCCC(=O)[O-].C[NH2+]C(CCCC1=CC2=CC=CC=C2C=C1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN.C10H20O2/c1-23-21(18-11-13-20(22)14-12-18)8-4-5-16-9-10-17-6-2-3-7-19(17)15-16;1-2-3-4-5-6-7-8-9-10(11)12/h2-3,6-7,9-15,21,23H,4-5,8H2,1H3;2-9H2,1H3,(H,11,12)